From af8fa097905186e0d8ba257e4d70d63fe8901264 Mon Sep 17 00:00:00 2001 From: Joseph Hunkeler Date: Tue, 3 Aug 2021 14:41:53 -0400 Subject: Initial commit --- .gitignore | 3 + Abfind.f | 207 + Abpop.f | 251 + Abunplot.f | 273 + Atmos.com | 62 + Barklem.dat | 15935 +++++++++++++++++++++++++++++++++++++++++++++++ BarklemUV.dat | 13154 ++++++++++++++++++++++++++++++++++++++ Batom.f | 625 ++ Begin.f | 138 + Binary.f | 198 + Binplot.f | 322 + Binplotprep.f | 172 + Blankstring.f | 18 + Blends.f | 321 + Bmolec.f | 226 + Boxit.f | 59 + Calmod.f | 49 + Cdcalc.f | 52 + Chabund.f | 253 + Cog.f | 106 + Cogplot.f | 123 + Cogsyn.f | 102 + Correl.f | 140 + Crosscorr.f | 52 + Curve.f | 80 + Dampdat.com | 17 + Damping.f | 201 + Defcolor.f | 36 + Discov.f | 23 + Doflux.f | 91 + Drawcurs.f | 51 + Dummy.com | 11 + Eqlib.f | 288 + Equivs.com | 24 + Ewfind.f | 214 + Ewweighted.f | 86 + Factor.com | 27 + Fakeline.f | 91 + Findtic.f | 36 + Finish.f | 46 + Fluxplot.f | 98 + Gammabark.f | 103 + Getasci.f | 42 + Getcount.f | 24 + Getnum.f | 24 + Getsyns.f | 126 + Gridplo.f | 90 + Gridsyn.f | 156 + Infile.f | 99 + Inlines.f | 312 + Inmodel.f | 439 ++ Inmodel.new | 524 ++ Invert.f | 92 + Jexpint.f | 103 + Kappa.com | 23 + Lineabund.f | 103 + Lineinfo.f | 356 ++ Linex.com | 52 + Linlimit.f | 157 + Makefile.macdesk | 53 + Makefile.macdesksilent | 53 + Makefile.maclap | 54 + Makefile.maclapsilent | 53 + Makefile.rh | 52 + Makefile.rh64 | 53 + Makefile.rh64silent | 53 + Makefile.rhsilent | 53 + Makeplot.f | 123 + Mol.com | 41 + Molquery.f | 89 + Moog.f | 117 + Moogsilent.f | 113 + Multimod.com | 32 + Multistar.com | 20 + Mydriver.f | 13 + Nansi.f | 184 + Nearly.f | 186 + Number.f | 53 + Obshead.f | 102 + Obspars.com | 12 + Oneline.f | 182 + OpacHelium.f | 45 + OpacHydrogen.f | 280 + Opaccouls.f | 121 + Opacit.f | 154 + Opacmetals.f | 504 ++ Opacscat.f | 104 + Params.f | 813 +++ Partfn.f | 42 + Partnew.f | 40 + Plotit.f | 85 + Plotremember.f | 123 + Plotval.com | 6 + Pltabun.f | 64 + Pltcog.f | 77 + Pltflux.f | 45 + Pltspec.f | 418 ++ Pointcurs.f | 27 + Prinfo.f | 58 + Pstuff.com | 76 + Putasci.f | 28 + Quants.com | 13 + Readobs.f | 192 + Rinteg.f | 66 + Setmols.f | 99 + Setmols.r | 513 ++ Smooth.f | 523 ++ Specplot.f | 335 + Stats.f | 103 + Sunder.f | 24 + Synpop.f | 304 + Synspec.f | 182 + Synth.f | 153 + Tablepop.f | 171 + Taukap.f | 48 + Total.f | 63 + Trudamp.f | 166 + Ucalc.f | 60 + Vargauss.f | 220 + Vmacro.f | 102 + Voigt.f | 70 + Wavecalc.f | 59 + Weedout.f | 165 + Writenumber.f | 35 + 124 files changed, 45553 insertions(+) create mode 100644 .gitignore create mode 100755 Abfind.f create mode 100755 Abpop.f create mode 100755 Abunplot.f create mode 100755 Atmos.com create mode 100755 Barklem.dat create mode 100755 BarklemUV.dat create mode 100755 Batom.f create mode 100755 Begin.f create mode 100755 Binary.f create mode 100755 Binplot.f create mode 100755 Binplotprep.f create mode 100755 Blankstring.f create mode 100755 Blends.f create mode 100755 Bmolec.f create mode 100755 Boxit.f create mode 100755 Calmod.f create mode 100755 Cdcalc.f create mode 100755 Chabund.f create mode 100755 Cog.f create mode 100755 Cogplot.f create mode 100755 Cogsyn.f create mode 100755 Correl.f create mode 100755 Crosscorr.f create mode 100755 Curve.f create mode 100755 Dampdat.com create mode 100755 Damping.f create mode 100755 Defcolor.f create mode 100755 Discov.f create mode 100755 Doflux.f create mode 100755 Drawcurs.f create mode 100755 Dummy.com create mode 100755 Eqlib.f create mode 100755 Equivs.com create mode 100755 Ewfind.f create mode 100755 Ewweighted.f create mode 100755 Factor.com create mode 100755 Fakeline.f create mode 100755 Findtic.f create mode 100755 Finish.f create mode 100755 Fluxplot.f create mode 100755 Gammabark.f create mode 100755 Getasci.f create mode 100755 Getcount.f create mode 100755 Getnum.f create mode 100755 Getsyns.f create mode 100755 Gridplo.f create mode 100755 Gridsyn.f create mode 100755 Infile.f create mode 100755 Inlines.f create mode 100755 Inmodel.f create mode 100755 Inmodel.new create mode 100755 Invert.f create mode 100755 Jexpint.f create mode 100755 Kappa.com create mode 100755 Lineabund.f create mode 100755 Lineinfo.f create mode 100755 Linex.com create mode 100755 Linlimit.f create mode 100755 Makefile.macdesk create mode 100755 Makefile.macdesksilent create mode 100755 Makefile.maclap create mode 100755 Makefile.maclapsilent create mode 100755 Makefile.rh create mode 100755 Makefile.rh64 create mode 100755 Makefile.rh64silent create mode 100755 Makefile.rhsilent create mode 100755 Makeplot.f create mode 100755 Mol.com create mode 100755 Molquery.f create mode 100755 Moog.f create mode 100755 Moogsilent.f create mode 100755 Multimod.com create mode 100755 Multistar.com create mode 100755 Mydriver.f create mode 100755 Nansi.f create mode 100755 Nearly.f create mode 100755 Number.f create mode 100755 Obshead.f create mode 100755 Obspars.com create mode 100755 Oneline.f create mode 100755 OpacHelium.f create mode 100755 OpacHydrogen.f create mode 100755 Opaccouls.f create mode 100755 Opacit.f create mode 100755 Opacmetals.f create mode 100755 Opacscat.f create mode 100755 Params.f create mode 100755 Partfn.f create mode 100755 Partnew.f create mode 100755 Plotit.f create mode 100755 Plotremember.f create mode 100755 Plotval.com create mode 100755 Pltabun.f create mode 100755 Pltcog.f create mode 100755 Pltflux.f create mode 100755 Pltspec.f create mode 100755 Pointcurs.f create mode 100755 Prinfo.f create mode 100755 Pstuff.com create mode 100755 Putasci.f create mode 100755 Quants.com create mode 100755 Readobs.f create mode 100755 Rinteg.f create mode 100755 Setmols.f create mode 100755 Setmols.r create mode 100755 Smooth.f create mode 100755 Specplot.f create mode 100755 Stats.f create mode 100755 Sunder.f create mode 100755 Synpop.f create mode 100755 Synspec.f create mode 100755 Synth.f create mode 100755 Tablepop.f create mode 100755 Taukap.f create mode 100755 Total.f create mode 100755 Trudamp.f create mode 100755 Ucalc.f create mode 100755 Vargauss.f create mode 100755 Vmacro.f create mode 100755 Voigt.f create mode 100755 Wavecalc.f create mode 100755 Weedout.f create mode 100755 Writenumber.f diff --git a/.gitignore b/.gitignore new file mode 100644 index 0000000..08205a3 --- /dev/null +++ b/.gitignore @@ -0,0 +1,3 @@ +*.o +*.swp +.smhist diff --git a/Abfind.f b/Abfind.f new file mode 100755 index 0000000..9ddae84 --- /dev/null +++ b/Abfind.f @@ -0,0 +1,207 @@ + + subroutine abfind +c****************************************************************************** +c This routine derives abundances for individual atomic lines +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + + +c*****read the parameter file + call params + + +c*****open the files for standard output and summary abundances + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'SUMMARY ABUNDANCE OUTPUT' + nchars = 24 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + + +c*****open and read the model atmosphere + array = 'THE MODEL ATMOSPHERE' + nchars = 20 +102 nfmodel = 30 + lscreen = lscreen + 2 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open and read the line list file; get ready for the line calculations + array = 'THE LINE LIST' + nchars = 13 + nflines = 31 + lscreen = lscreen + 2 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + + +c*****get ready for the line calculations: generate a curve-of-growth lookup +c table, read the linelist, etc. +100 call fakeline + call inlines (1) + call eqlib + call nearly (1) + + +c*****set some parameters + ewsynthopt = -1 + mode = 2 + cogatom = 0. + lim1line = 0 + + +c*****find the range of lines of a species +5 call linlimit + if (lim1line .lt. 0) then + call finish (0) + return + endif + lim1obs = lim1line + lim2obs = lim2line + + +c*****find out whether molecular equilibrium is involved in the species + call molquery + + +c*****force each abundance of a species member to predict the +c line equivalent width; here is the code for ordinary species + if (molflag .eq. 0) then + abundin = dlog10(xabund(iabatom)) + 12.0 + do lim1=lim1line,lim2line + call lineabund (abundin) + enddo + call stats + call lineinfo (3) + else + + +c*****and here is the code for species involved in molecular equilibrium; +c this procedure is iterated until input and output abundances are in +c agreement + iternumber = 1 +10 abundin = dlog10(xabund(iabatom)) + 12.0 + do lim1=lim1line,lim2line + call lineabund (abundin) + enddo + call stats + call lineinfo (3) + if (t(jtau5).lt.3800 .or. + . atom1(lim1line).gt.100.0 .or. + . int(atom1(lim1line)+0.0001).eq.6 .or. + . int(atom1(lim1line)+0.0001).eq.8) then + if (iternumber .lt. 6) then + if (dabs(average-abundin) .gt. 0.02) then + xabund(iabatom) = 10.**(average-12.) + iternumber = iternumber + 1 + call eqlib + call nearly (2) + go to 10 + else + write (array,1001) iternumber + ikount=kount+14 + nchars = 53 + call putasci (nchars,ikount) + endif + else + write (array,1003) molecule, dlog10(abundin), + . dlog10(average) + lscreen = lscreen + 2 + call prinfo (lscreen) + stop + endif + endif + endif + + +c*****here a plot may be made on the terminal (and paper) if there +c are enough lines; then the user will be prompted on some +c options concerning what is seen on the plot + if (plotopt .ne. 0) then + call pltabun + if (choice.eq.'v') then + rewind nf1out + rewind nf2out + write (nf2out,1002) linitle,moditle + choice = ' ' + go to 100 + elseif (choice .eq. 'm') then + close (unit=nfmodel) + close (unit=nflines) + rewind nf1out + rewind nf2out + rewind nf5out + array = 'THE NEW MODEL ATMOSPHERE' + nchars = 24 + fmodel = 'no_filename_given' + lim1line = 0 + lim2line = 0 + lim1obs = 0 + lim2obs = 0 + go to 102 + endif + endif + + + + +c*****quit, or go on to another species? + if (silent .eq. 'y') then + choice = 'y' + nchars = 0 + else + array = 'DO ANOTHER SPECIES ([y]/n)? ' + nchars = 28 + call getasci (nchars,maxline) + choice = chinfo(1:1) + endif + if (choice.eq.'y' .or. nchars.le.0) then + if (mode .eq. 2) then + go to 5 + else + call finish (0) + return + endif + else + call finish (0) + return + endif + + +c*****format statements +1001 format ('THIS REQUIRED', i2,' ITERATIONS WITH MOLECULAR ', + . 'EQUILIBRIUM') +1002 format (a80) +1003 format ('FOR SPECIES ', f10.1,' NO CONVERGENCE: '/ + . 'LAST ITERATIONS YIELD', 2f10.3, ' I QUIT!') + + + end + + + + + + + + diff --git a/Abpop.f b/Abpop.f new file mode 100755 index 0000000..542fb30 --- /dev/null +++ b/Abpop.f @@ -0,0 +1,251 @@ + + subroutine abpop +c****************************************************************************** +c Equivalent width matching routine for stellar populations; usually +c meant for integrated light spectra. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + include 'Multimod.com' + character*80 line + + +c*****read the parameter file + call params + + +c*****open the model table input file and the summary table output file; +c read the information from the table input file + call tablepop (1) + + +c*****open the standard output file + nf1out = 20 + lscreen = 8 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + +c*****FIRST PASS: For each model, for each line, create a curve-of-growth +c finely divided in steps of 0.01 in "Ngf" + do mmod=1,modtot + + +c*****read in the model atmospheres and their summary output files + line = synpre + num = 80 + call getcount (num,line) + if (mmod .lt. 10) then + write(line(num+1:num+1),1013) mmod + else + write(line(num+1:num+2),1014) mmod + endif + nf2out = 21 + fmodoutput(mmod) = line + f2out = fmodoutput(mmod) + lscreen = 10 + array = 'SUMMARY C-O-G OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + + line = modpre + num = 80 + call getcount (num,line) + if (mmod .lt. 10) then + write(line(num+1:num+1),1013) mmod + else + write(line(num+1:num+2),1014) mmod + endif + nfmodel = 30 + fmodinput(mmod) = line + fmodel = fmodinput(mmod) + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + lscreen = 12 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + write (nf2out,1001) moditle + + +c*****open and read the line list; this will internally be broken down +c into 1-line lists for computational efficiency + array = 'THE LINE LIST' + nchars = 13 + nflines = 31 + lscreen = 14 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + call inlines (1) + if (nlines .gt. 1000) then + write (*,1005) + stop + endif + call eqlib + call nearly (1) + + +c*****do the curves of growth; store the results + rwlow = -6.5 + rwhigh = -3.5 + rwstep = 0.15 + do lim1=1,nlines + lim2 = lim1 + waveold = 0. + call curve + if (ncurve .gt. 50) then + nmodcurve(mmod,lim1) = 50 + else + nmodcurve(mmod,lim1) = ncurve + endif + fluxmod(mmod,lim1) = flux + lastcurve = nmodcurve(mmod,lim1) + iatom = nint(atom1(lim1)) + xxab = dlog10(xabund(iatom)) + weightmod(mmod,lim1) = fluxmod(mmod,lim1)*radius(mmod)**2* + . relcount(mmod) + do icurve=1,lastcurve + gfmodtab(mmod,lim1,icurve) = gf1(icurve) + xxab + rwmodtab(mmod,lim1,icurve) = w(icurve) + enddo + enddo + enddo + + +c*****set some parameters + ewsynthopt = -1 + mode = 2 + cogatom = 0. + lim1line = 0 + + +c*****now, inside the +c*****define the range of lines for a species + 5 call linlimit + if (lim1line .lt. 0) then + call finish (0) + return + endif + lim1obs = lim1line + lim2obs = lim2line + + +c*****find out whether molecular equilibrium is involved in the species + call molquery + + +c*****for just the first model atmosphere, interpolate in the curve-of-growth +c at very small log(Ngf) steps for just the first line in the list, +c in order to make a lookup table for later abundance iterations + ncurve = nmodcurve(1,1) + do i=2,ncurve-2 + k = 30*(i-2) + l = -1 + do m=k+1,k+30 + l = l + 1 + pp = 0.005/0.15*(l-1) + gftab(m) = gfmodtab(1,1,2) + 0.005*(m-1) + rwtab(m) = rwmodtab(1,1,i-1)*(-pp)*(pp-1.)*(pp-2.)/6. + + . rwmodtab(1,1,i)*(pp*pp-1.)*(pp-2.)/2. + + . rwmodtab(1,1,i+1)*(-pp)*(pp+1.)*(pp-2.)/2. + + . rwmodtab(1,1,i+2)*pp*(pp*pp-1.)/6. + enddo + enddo + ntabtot = m - 1 + + +c*****now consider each line at a time; use these curve-of-growth to +c compute a weighted + do lim1=lim1line,lim2line + write (nf7out,1003) atom1(lim1), wave1(lim1), e(lim1,1), + . dlog10(gf(lim1)) + rwlgerror = 50. + deltangf = 0. + do k=1,30 + call ewweighted + rwlgcal = dlog10(ewmod(lim1)/wave1(lim1)) + do i=2,ntabtot + if (rwtab(i) .gt. rwlgcal) then + gflgcal = gftab(i-1) + (gftab(i)-gftab(i-1))* + . (rwlgcal-rwtab(i-1))/(rwtab(i)-rwtab(i-1)) + exit + endif + enddo + rwlgobs = dlog10(width(lim1)/wave1(lim1)) + do i=2,ntabtot + if (rwtab(i) .gt. rwlgobs) then + gflgobs = gftab(i-1) + (gftab(i)-gftab(i-1))* + . (rwlgobs-rwtab(i-1))/(rwtab(i)-rwtab(i-1)) + exit + endif + enddo + rwlgerror = rwlgobs - rwlgcal + diffngf = gflgobs - gflgcal + deltangf = deltangf + diffngf + if (dabs(rwlgerror) .lt. 0.01) exit + if (k .eq. 30) then + write (*,1004) + stop + endif + enddo + + +c*****here we go for a final iteration on a line, or finish + call ewweighted + enddo + + +c*****do the species statistics and output the results + call stats + call lineinfo (3) + + +c*****here a plot may be made on the terminal (and paper) if there +c are enough lines; then the user will be prompted on some +c options concerning what is seen on the plot + + if (plotopt .ne. 0) then + call blankstring (moditle) + moditle(1:70) = popitle(1:70) + moditle(57:80) = 'EW-POPULATION ' + call pltabun + endif + + +*****quit, or go on to another species? + array = 'DO ANOTHER SPECIES ([y]/n)? ' + if (silent .eq. 'n') then + nchars = 28 + call getasci (nchars,maxline) + choice = chinfo(1:1) + else + choice = 'y' + endif + if (choice.eq.'y' .or. nchars.le.0) then + if (mode .eq. 2) then + go to 5 + else + call finish (0) + return + endif + else + call finish (0) + return + endif + + +c*****format statements +1001 format (a80) +1003 format (/'species=',f5.1, 3x, 'lambda=', f8.3, 3x, 'EP=', f6.3, + . 3x, 'log(gf)=', f7.3) +1004 format ('NO ABUNDANCE CONVERGENCE IN 30 TRIES; I QUIT!') +1005 format ('MORE THAN 1000 LINES FED TO ABPOP; I QUIT') +1013 format (i1) +1014 format (i2) + end diff --git a/Abunplot.f b/Abunplot.f new file mode 100755 index 0000000..e305bc7 --- /dev/null +++ b/Abunplot.f @@ -0,0 +1,273 @@ + + subroutine abunplot +c****************************************************************************** +c This routine produces MONGO plots of line abundances versus +c excitation potentials and equivalent widths +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Dummy.com' + real*4 ep(2500),abb(2500),logrw(2500),wavepl(2500) + equivalence (ep,dummy3(1)),(abb,dummy3(1251)),(logrw,dummy3(2501)) + real*4 style(1),ymed + character ion*4 + + +c*****dump the data into working arrays + j = 0 + do l=lim1obs,lim2obs + if (abundout(l) .ne. 999.99) then + j = j + 1 + ep(j) = e(l,1) + abb(j) = abundout(l) +c logrw(j) = dlog10(wid1comp(l)/wave1(l)) + logrw(j) = dlog10(width(l)/wave1(l)) + wavepl(j) = wave1(l) + endif + enddo + + +c*****find the plot boundaries for the excitation potential plot + xlo = 20. + do j=1,kount + xlo = amin1(xlo,ep(j)) + enddo + xhi = 0. + do j=1,kount + xhi = amax1(xhi,ep(j)) + enddo + if (xhi-xlo .lt. 5.) then + xlo = amax1((xlo+xhi)/2.-2.5,-0.2) + xhi = xlo + 5.0 + else + xlo = amax1((xlo+xhi)/2.-5.0,-0.2) + xhi = xlo + 10. + endif + ylo = 20. + do j=1,kount + ylo = amin1(ylo,abb(j)) + enddo + yhi = -20. + do j=1,kount + yhi = amax1(yhi,abb(j)) + enddo + if (yhi-ylo .lt. 0.5) then + ylo = (ylo+yhi)/2. - 0.30 + yhi = ylo + 0.60 + elseif (yhi-ylo .lt. 1.0) then + ylo = (ylo+yhi)/2. - 0.55 + yhi = ylo + 1.10 + else + ylo = (ylo+yhi)/2. - 1.10 + yhi = ylo + 2.20 + endif + + +c*****start the excitation potential plot via plot setup calls + call sm_defvar ('y_gutter','0.9') + call sm_window (1,3,1,3,1,3) + call sm_limits (xlo,xhi,ylo,yhi) + call findtic (xlo,xhi,bigxtic,smlxtic) + call findtic (ylo,yhi,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the excitation potential plot + call defcolor (1) + call sm_lweight (4.0) + call sm_expand (1.2) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (1,2,4,4) + array = 'E. P. (eV)' + call sm_relocate (0.5*(xlo+xhi),ylo-0.20*(yhi-ylo)) + call sm_putlabel (5,array) + array = 'log eps' + call sm_relocate (xlo-0.10*(xhi-xlo),0.5*(yhi+ylo)) + call sm_angle (90.) + call sm_putlabel (5,array) + call sm_angle (0.) + + +c*****make the excitation potential plot + call defcolor (2) + call sm_expand (2.2) + style(1) = 43.5 + call sm_ptype (style,1) + call sm_points (ep,abb,kount) + call defcolor (4) + ymed = average + call sm_lweight (4.0) + call sm_ltype (2) + call sm_relocate (xlo,ymed) + call sm_draw (xhi,ymed) + if (kount .gt. 2 .and. deltaep .gt. 1.5) then + call sm_ltype (3) + call defcolor (3) + call sm_relocate (xlo,real(xxm1*xlo+xxb1)) + call sm_draw (xhi,real(xxm1*xhi+xxb1)) + endif + call sm_ltype (0) + call sm_lweight (2.0) + call defcolor (1) + call sm_relocate (xlo+0.05*(xhi-xlo),ylo+0.15*(yhi-ylo)) + call sm_expand (0.8) + ich = idint(charge(lim1obs) + 0.1) + if (ich .eq. 1) then + ion = ' I ' + elseif (ich .eq. 2) then + ion = ' II ' + elseif (ich .eq. 3) then + ion = ' III' + endif + iatom = idint(atom1(lim1obs)) + write (array,1002) names(iatom),ion + call sm_relocate ((xhi+xlo)/2.,yhi-0.12*(yhi-ylo)) + call sm_expand (0.8) + call sm_putlabel (5,array) + + +c*****define the plot limits for the equivalent width plot + xlo = 5000. + do j=1,kount + xlo = amin1(xlo,logrw(j)) + enddo + xhi = -5000. + do j=1,kount + xhi = amax1(xhi,logrw(j)) + enddo + xlo = int((xlo-0.01)*2.-1.)/2. + xhi = int((xhi+0.01)*2.)/2. + call sm_defvar ('y_gutter','0.9') + call sm_window (1,3,1,2,1,2) + call sm_limits (xlo,xhi,ylo,yhi) + call findtic (xlo,xhi,bigxtic,smlxtic) + call findtic (ylo,yhi,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the equivalent width plot + call defcolor (1) + call sm_lweight (4.0) + call sm_expand (1.2) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (1,2,4,4) + array = 'log (EW/lambda)' + call sm_relocate (0.5*(xlo+xhi),ylo-0.20*(yhi-ylo)) + call sm_putlabel (5,array) + array = 'log eps' + call sm_relocate (xlo-0.10*(xhi-xlo),0.5*(yhi+ylo)) + call sm_angle (90.) + call sm_putlabel (5,array) + call sm_angle (0.) + + +c*****make the equivalent width plot + call defcolor (2) + call sm_expand (2.2) + style(1) = 43.5 + call sm_ptype (style,1) + call sm_points (logrw,abb,kount) + call defcolor (4) + call sm_lweight (4.0) + call sm_ltype (2) + call sm_relocate (xlo,ymed) + call sm_draw (xhi,ymed) + if (kount .gt. 2 .and. deltarw .gt. 0.5) then + call sm_ltype (3) + call defcolor (3) + call sm_relocate (xlo,real(xxm2*xlo+xxb2)) + call sm_draw (xhi,real(xxm2*xhi+xxb2)) + endif + call sm_ltype (0) + call sm_lweight (2.0) + call defcolor (1) + call sm_expand (0.8) + call sm_relocate ((xhi+xlo)/2.,yhi-0.12*(yhi-ylo)) + call sm_putlabel (5,moditle(1:56)) + call sm_relocate ((xhi+xlo)/2.,ylo+0.12*(yhi-ylo)) + call sm_putlabel (5,moditle(57:80)) + + +c*****define the plot limits for the wavelength plot + xlo = 5000000. + do j=1,kount + xlo = amin1(xlo,wavepl(j)) + enddo + xhi = 0. + do j=1,kount + xhi = amax1(xhi,wavepl(j)) + enddo + xlo = int(xlo-50.) + xhi = int(xhi+50.) + call sm_defvar ('y_gutter','0.9') + call sm_window (1,3,1,1,1,1) + call sm_limits (xlo,xhi,ylo,yhi) + call findtic (xlo,xhi,bigxtic,smlxtic) + call findtic (ylo,yhi,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the wavelength plot + call defcolor (1) + call sm_lweight (4.0) + call sm_expand (1.2) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (1,2,4,4) + array = 'lambda (A)' + call sm_relocate (0.5*(xlo+xhi),ylo-0.20*(yhi-ylo)) + call sm_putlabel (5,array) + array = 'log eps' + call sm_relocate (xlo-0.10*(xhi-xlo),0.5*(yhi+ylo)) + call sm_angle (90.) + call sm_putlabel (5,array) + call sm_angle (0.) + + +c*****make the wavelength plot, and exit normally + call defcolor (2) + call sm_expand (2.2) + style(1) = 43.5 + call sm_ptype (style,1) + call sm_points (wavepl,abb,kount) + call defcolor (4) + call sm_relocate (xlo,ymed) + call sm_lweight (4.0) + call sm_ltype (2) + call sm_draw (xhi,ymed) + if (kount .gt. 2 .and. deltawv .gt. 500.) then + call sm_ltype (3) + call defcolor (3) + call sm_relocate (xlo,real(xxm3*xlo+xxb3)) + call sm_draw (xhi,real(xxm3*xhi+xxb3)) + endif + call sm_ltype (0) + call sm_lweight (2.0) + call defcolor (1) + call sm_relocate ((xhi+xlo)/2.,yhi-0.12*(yhi-ylo)) + call sm_expand (0.8) + call sm_putlabel (5,linitle) + return + + +c*****format statements +1002 format (a2,a4) + + + end + + + + + + + + diff --git a/Atmos.com b/Atmos.com new file mode 100755 index 0000000..86ac940 --- /dev/null +++ b/Atmos.com @@ -0,0 +1,62 @@ + +c****************************************************************************** +c these common blocks mainly have quantities related to the model +c atmosphere and input/output file names/numbers, and program control +c****************************************************************************** + + real*8 t(100), theta(100), tkev(100), tlog(100), + . pgas(100), ne(100), nhtot(100), numdens(8,2,100), + . molweight(100), vturb(100), scont(100), + . kapref(100), kaplam(100), tauref(100), taulam(100), + . kaplamabs(100), kaplamsca(100), + . rho(100), rhox(100), xref(100), xdepth(100) + real*8 elem(95), xabund(95), xabu(95), u(95,4,100) + real*8 flux, fudge, wavref, abscale, deltaabund + integer ntau, jtau5, iunits, itru, iraf, modelnum + integer nfparam, nfmodel, nflines, nfslines, nfobs, nftable + integer nf1out, nf2out, nf3out, nf4out, nf5out, nf6out, + . nf7out, nf8out, nf9out, nf10out, + . nfbarklem, nfbarklemUV + integer modprintopt, linprintopt, linprintalt, + . fluxintopt, plotopt, dampingopt, specfileopt, + . linfileopt, printstrong, linecount, oldcount, + . scatopt + character*80 f1out, f2out, f3out, f4out, f5out, f6out, + . f7out, f8out, f9out, f10out, + . fparam, fmodel, flines, fslines, fobs, ftable, + . fbarklem, fbarklemUV + character*60 moogpath + character*2 names(95) + character*10 modtype + character*7 control + character*3 machine + character*1 silent + + common/atmos/t, theta, tkev, tlog, + . pgas, ne, nhtot, numdens, + . molweight, vturb, scont, + . kapref, kaplam, tauref, taulam, + . kaplamabs, kaplamsca, + . rho, rhox, xref, xdepth, + . elem, xabund, xabu, u, + . flux, fudge, wavref, abscale, deltaabund, + . ntau, jtau5, iunits, itru, iraf, modelnum, + . nfparam, nfmodel, nflines, nfslines, nfobs, nftable, + . nf1out, nf2out, nf3out, nf4out, nf5out, nf6out, + . nf7out, nf8out, nf9out, nf10out, + . nfbarklem, nfbarklemUV, + . modprintopt, linprintopt, linprintalt, + . fluxintopt, plotopt, dampingopt, specfileopt, + . linfileopt, printstrong, linecount, oldcount, scatopt + + common/charstuff/ f1out, f2out, f3out, f4out, f5out, f6out, + . f7out, f8out, f9out, f10out, + . fparam, fmodel, flines, fslines, fobs, ftable, + . fbarklem, fbarklemUV, + . moogpath, + . names, + . modtype, + . control, + . machine, + . silent + diff --git a/Barklem.dat b/Barklem.dat new file mode 100755 index 0000000..20eb14f --- /dev/null +++ b/Barklem.dat @@ -0,0 +1,15935 @@ + 3000.062 26.1 -7.888 0.240 3.91E+08 + 3000.242 26.1 -7.476 0.283 1.05E+09 + 3000.291 26.1 -7.511 0.284 1.18E+08 + 3000.384 26.1 -7.430 0.225 8.16E+08 + 3000.543 27.0 -7.655 0.284 1.10E+08 + 3000.863 20.0 -7.355 0.306 1.58E+08 + 3000.866 22.0 -7.484 0.278 3.26E+07 + 3000.882 24.0 -7.562 0.284 1.64E+08 + 3000.948 26.0 -7.695 0.264 2.02E+08 + 3001.132 26.1 -7.440 0.221 9.08E+08 + 3001.401 26.1 -7.435 0.227 8.08E+08 + 3001.595 26.1 -7.441 0.221 8.97E+08 + 3001.971 26.1 -7.445 0.224 9.20E+08 + 3002.321 26.1 -7.791 0.197 3.19E+08 + 3002.417 26.1 -7.931 0.212 4.31E+08 + 3002.450 26.1 -7.914 0.382 4.66E+08 + 3002.485 28.0 -7.756 0.246 1.40E+08 + 3002.641 26.1 -7.425 0.233 8.89E+08 + 3002.646 26.1 -7.776 0.206 3.16E+08 + 3003.101 26.1 -7.931 0.212 4.31E+08 + 3003.406 26.1 -7.581 0.291 1.13E+09 + 3003.621 28.0 -7.747 0.246 1.18E+08 + 3003.889 26.1 -7.434 0.224 7.93E+08 + 3004.257 26.1 -7.888 0.238 3.93E+08 + 3004.436 26.1 -7.395 0.278 1.04E+09 + 3004.974 26.1 -7.562 0.286 1.06E+09 + 3005.058 24.0 -7.558 0.285 1.78E+08 + 3005.376 26.1 -7.931 0.201 5.02E+08 + 3005.492 26.1 -7.554 0.287 1.11E+09 + 3005.648 26.1 -7.543 0.284 1.17E+08 + 3006.110 26.1 -7.539 0.277 1.11E+09 + 3006.242 26.1 -7.931 0.201 5.02E+08 + 3006.858 26.1 -7.580 0.288 1.11E+09 + 3006.861 20.0 -7.353 0.306 1.60E+08 + 3007.078 26.1 -7.505 0.289 1.00E+09 + 3007.282 26.0 -7.663 0.272 6.47E+06 + 3007.586 26.1 -7.933 0.198 5.67E+08 + 3007.650 25.0 -7.589 0.240 1.16E+08 + 3007.760 26.1 -7.501 0.282 1.03E+09 + 3007.945 26.1 -7.437 0.223 7.40E+08 + 3007.948 26.1 -7.440 0.229 7.40E+08 + 3008.140 26.0 -7.694 0.264 2.04E+08 + 3008.375 26.1 -7.593 0.332 2.22E+08 + 3009.093 26.0 -7.637 0.246 1.19E+08 + 3009.148 26.1 -7.890 0.267 4.04E+08 + 3009.206 20.0 -7.355 0.306 1.59E+08 + 3009.267 26.1 -7.439 0.227 7.49E+08 + 3009.463 26.1 -7.678 0.373 7.32E+08 + 3009.569 26.0 -7.507 0.296 5.99E+08 + 3009.601 26.1 -7.680 0.217 4.00E+08 + 3009.880 26.1 -7.683 0.221 4.00E+08 + 3010.138 26.1 -7.443 0.222 9.30E+08 + 3010.216 26.1 -7.419 0.233 7.14E+08 + 3010.225 26.1 -7.531 0.293 9.64E+08 + 3010.462 26.1 -7.890 0.267 4.04E+08 + 3010.638 26.1 -7.892 0.216 3.29E+08 + 3010.832 26.1 -7.439 0.227 1.00E+09 + 3011.163 25.0 -7.590 0.240 1.12E+08 + 3011.341 26.1 -7.933 0.198 5.67E+08 + 3011.372 25.0 -7.590 0.240 1.12E+08 + 3011.482 26.0 -7.788 0.255 5.81E+07 + 3011.502 26.1 -7.932 0.206 5.03E+08 + 3011.539 26.1 -7.435 0.216 9.05E+08 + 3011.541 26.1 -7.519 0.265 9.05E+08 + 3011.859 26.1 -7.552 0.283 1.03E+09 + 3012.001 28.0 -7.713 0.250 2.13E+08 + 3012.113 26.1 -7.550 0.283 9.34E+08 + 3012.210 26.1 -7.933 0.198 5.67E+08 + 3012.595 26.1 -7.889 0.238 3.99E+08 + 3013.379 26.1 -7.505 0.289 4.17E+08 + 3013.589 27.0 -7.675 0.281 1.39E+08 + 3013.608 26.1 -7.478 0.282 1.12E+09 + 3013.673 26.1 -7.553 0.289 1.02E+09 + 3013.699 24.0 -7.572 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22.0 -7.484 0.280 3.26E+07 + 2981.646 28.0 -7.744 0.246 1.82E+08 + 2982.059 26.1 -7.874 0.280 4.15E+08 + 2982.258 26.1 -7.887 0.223 3.02E+08 + 2982.273 26.1 -7.437 0.229 8.70E+08 + 2982.482 26.1 -7.430 0.233 8.16E+08 + 2982.945 26.1 -7.927 0.298 4.56E+08 + 2983.010 26.1 -7.422 0.218 7.45E+08 + 2983.314 22.0 -7.484 0.279 3.43E+07 + 2983.570 26.0 -7.704 0.261 1.99E+08 + 2983.718 26.1 -7.742 0.230 4.03E+08 + 2984.067 26.1 -7.556 0.285 1.07E+09 + 2984.131 28.0 -7.776 0.253 1.40E+08 + 2984.186 26.1 -7.576 0.291 1.12E+09 + 2984.270 26.1 -7.873 0.284 4.26E+08 + 2984.288 26.1 -7.502 0.284 9.19E+08 + 2984.825 26.1 -7.777 0.208 3.16E+08 + 2984.889 26.1 -7.896 0.240 3.81E+08 + 2984.961 26.1 -7.435 0.227 8.38E+08 + 2985.290 26.1 -7.511 0.284 1.18E+08 + 2985.293 26.1 -7.888 0.233 3.92E+08 + 2985.519 26.1 -7.896 0.210 3.16E+08 + 2985.545 26.1 -7.775 0.200 3.16E+08 + 2985.640 26.1 -7.440 0.227 7.43E+08 + 2985.876 26.1 -7.435 0.230 8.14E+08 + 2986.345 26.1 -7.430 0.229 8.41E+08 + 2986.456 26.0 -7.655 0.273 4.88E+06 + 2986.611 26.1 -7.892 0.227 2.95E+08 + 2986.654 26.0 -7.630 0.247 1.08E+08 + 2986.912 26.1 -7.877 0.274 3.62E+08 + 2987.158 27.0 -7.669 0.283 1.26E+08 + 2987.194 26.1 -7.440 0.227 8.40E+08 + 2987.270 26.1 -7.877 0.274 3.62E+08 + 2987.290 26.0 -7.500 0.297 6.01E+08 + 2987.537 26.1 -7.578 0.289 9.08E+08 + 2987.552 26.1 -7.439 0.226 9.08E+08 + 2987.643 14.0 -7.383 0.246 3.33E+08 + 2987.789 26.1 -7.429 0.212 9.08E+08 + 2987.836 26.1 -7.505 0.283 1.07E+09 + 2987.840 26.1 -7.436 0.221 7.67E+08 + 2988.065 26.1 -7.580 0.292 1.12E+09 + 2988.131 26.1 -7.736 0.333 3.91E+08 + 2988.404 26.1 -7.442 0.229 8.14E+08 + 2988.618 26.1 -7.896 0.210 1.54E+08 + 2988.648 24.0 -7.558 0.250 1.66E+08 + 2988.712 26.1 -7.511 0.289 1.14E+09 + 2988.945 26.1 -7.533 0.287 9.88E+08 + 2988.954 26.1 -7.444 0.224 9.09E+08 + 2988.974 21.0 -7.530 0.253 1.56E+08 + 2989.011 26.1 -7.877 0.275 3.62E+08 + 2989.054 26.1 -7.536 0.286 9.88E+08 + 2989.064 26.1 -7.437 0.224 7.42E+08 + 2989.376 26.1 -7.876 0.276 3.77E+08 + 2989.584 27.0 -7.670 0.283 1.38E+08 + 2989.734 26.1 -7.876 0.276 3.77E+08 + 2989.822 26.1 -7.579 0.289 1.15E+09 + 2989.917 26.1 -7.436 0.224 7.40E+08 + 2990.219 26.1 -7.435 0.229 6.62E+08 + 2990.391 26.0 -7.789 0.255 1.02E+08 + 2991.079 26.1 -7.898 0.216 1.44E+08 + 2991.118 28.0 -7.745 0.256 7.12E+07 + 2991.228 26.1 -7.893 0.225 3.51E+08 + 2991.818 26.1 -7.444 0.230 8.16E+08 + 2991.820 26.1 -7.538 0.295 8.16E+08 + 2991.887 24.0 -7.566 0.284 1.51E+08 + 2992.592 28.0 -7.755 0.246 1.44E+08 + 2992.642 26.1 -7.511 0.284 1.18E+08 + 2993.115 26.1 -7.783 0.194 3.63E+08 + 2993.201 26.1 -7.735 0.332 3.91E+08 + 2993.357 26.1 -7.874 0.279 4.15E+08 + 2993.371 26.1 -7.435 0.227 8.44E+08 + 2993.474 26.1 -7.443 0.223 8.87E+08 + 2993.581 26.1 -7.735 0.333 9.80E+08 + 2993.584 26.1 -7.532 0.284 9.80E+08 + 2993.671 26.1 -7.557 0.294 1.07E+09 + 2994.053 24.0 -7.559 0.250 1.80E+08 + 2994.153 26.1 -7.440 0.229 8.68E+08 + 2994.421 26.1 -7.729 0.319 4.15E+08 + 2994.427 26.0 -7.699 0.263 1.97E+08 + 2994.453 28.0 -7.755 0.246 1.63E+07 + 2994.502 26.0 -7.655 0.273 4.88E+06 + 2994.957 20.0 -7.354 0.306 1.59E+08 + 2995.100 24.0 -7.559 0.250 4.04E+08 + 2995.726 26.1 -7.511 0.289 1.10E+09 + 2996.120 26.1 -7.550 0.287 1.00E+09 + 2996.385 26.0 -7.634 0.247 1.86E+08 + 2996.575 24.0 -7.565 0.284 1.55E+08 + 2997.300 26.1 -7.872 0.289 4.42E+08 + 2997.316 20.0 -7.353 0.306 1.60E+08 + 2997.381 26.1 -7.395 0.282 1.08E+09 + 2997.430 26.1 -7.463 0.284 1.03E+09 + 2997.523 26.1 -7.501 0.281 1.02E+09 + 2997.971 26.1 -7.543 0.283 1.17E+08 + 2998.782 24.0 -7.560 0.250 1.90E+08 + 2998.849 26.1 -7.535 0.293 3.75E+08 + 2998.852 26.1 -7.895 0.233 3.75E+08 + 2998.911 26.1 -7.437 0.222 7.66E+08 + 2999.512 26.0 -7.517 0.298 6.05E+08 + 2999.596 26.1 -7.572 0.282 1.18E+09 + 2999.645 20.0 -7.354 0.306 1.59E+08 + 2999.730 26.1 -7.930 0.212 3.74E+08 + 2999.759 26.1 -7.495 0.285 6.35E+08 diff --git a/Batom.f b/Batom.f new file mode 100755 index 0000000..64d1bc4 --- /dev/null +++ b/Batom.f @@ -0,0 +1,625 @@ + + block data atomic +c****************************************************************************** +c this routine contains atomic data ordered by atomic number +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Quants.com' +c +c This routine contains the basic atomic data +c +c names = atomic symbols for the elements + data names/'H ','He','Li','Be','B ','C ','N ','O ','F ','Ne', + . 'Na','Mg','Al','Si','P ','S ','Cl','Ar','K ','Ca', + . 'Sc','Ti','V ','Cr','Mn','Fe','Co','Ni','Cu','Zn', + . 'Ga','Ge','As','Se','Br','Kr','Rb','Sr','Y ','Zr', + . 'Nb','Mo','Tc','Ru','Rh','Pd','Ag','Cd','In','Sn', + . 'Sb','Te','I ','Xe','Cs','Ba','La','Ce','Pr','Nd', + . 'Pm','Sm','Eu','Gd','Tb','Dy','Ho','Er','Tm','Yb', + . 'Lu','Hf','Ta','Wl','Re','Os','Ir','Pt','Au','Hg', + . 'Tl','Pb','Bi','Po','At','Rn','Fr','Ra','Ac','Th', + . 'Pa','U ','Np','Pu','Am'/ +c +c xabu = the set of current solar (when available) or meteorite +c abundances, scaled to log(h) = 12.00 . The data are from Asplund +c et al. (2009, Ann. Rev. Ast. Ap., 47, 481). + data xsolar/ + * 12.00,10.93, 1.05, 1.38, 2.70, 8.43, 7.83, 8.69, 4.56, 7.93, + 1 6.24, 7.60, 6.45, 7.51, 5.41, 7.12, 5.50, 6.40, 5.03, 6.34, + 2 3.15, 4.95, 3.93, 5.64, 5.43, 7.50, 4.99, 6.22, 4.19, 4.56, + 3 3.04, 3.65, 2.30, 3.34, 2.54, 3.25, 2.52, 2.87, 2.21, 2.58, + 4 1.46, 1.88,-5.00, 1.75, 0.91, 1.57, 0.94, 1.71, 0.80, 2.04, + 5 1.01, 2.18, 1.55, 2.24, 1.08, 2.18, 1.10, 1.58, 0.72, 1.42, + 6 -5.00, 0.96, 0.52, 1.07, 0.30, 1.10, 0.48, 0.92, 0.10, 0.84, + 7 0.10, 0.85,-0.12, 0.85, 0.26, 1.40, 1.38, 1.62, 0.92, 1.17, + 8 0.90, 1.75, 0.65,-5.00,-5.00,-5.00,-5.00,-5.00,-5.00, 0.02, + 9 -5.00,-0.54,-5.00,-5.00,-5.00/ +c +c xam = atomic mass (amu) + data xam/ + * 1.008,4.003,6.941,9.012,10.81,12.01,14.01,16.00,19.00,20.18, + 1 22.99,24.31,26.98,28.08,30.97,32.06,35.45,39.95,39.10,40.08, + 2 44.96,47.90,50.94,52.00,54.94,55.85,58.93,58.71,63.55,65.37, + 3 69.72,72.59,74.92,78.96,79.90,83.80,85.47,87.62,88.91,91.22, + 4 92.91,95.94,98.91,101.1,102.9,106.4,107.9,112.4,114.8,118.7, + 5 121.8,127.6,126.9,131.3,132.9,137.3,138.9,140.1,140.9,144.2, + 6 145.0,150.4,152.0,157.3,158.9,162.5,164.9,167.3,168.9,173.0, + 7 175.0,178.5,181.0,183.9,186.2,190.2,192.2,195.1,197.0,200.6, + 8 204.4,207.2,209.0,210.0,210.0,222.0,223.0,226.0,227.0,232.0, + 9 231.0,238.0,237.0,244.0,243.0/ +c +c xchi1 = first ionization potential (ev) +c data are mainly from I. S. Grigoriev & E. Z. Meilikhov 1997, Handbook of +c Physical Quantities, CRC Press, Boca Raton, 516; supplemented +c by the CRC, 1994 edition; updated from the NIST web site Dec. 2, 2000; +c just for xchi1 I take the values from the NIST web site, which +c essentially agree with the CRC values + data xchi1/ + * 13.60,24.59,5.392,9.323,8.298,11.26,14.53,13.62,17.42,21.56, + 1 5.139,7.646,5.986,8.152,10.49,10.36,12.97,15.76,4.340,6.113, + 2 6.562,6.828,6.746,6.766,7.434,7.902,7.881,7.640,7.726,9.394, + 3 5.999,7.899,9.789,9.752,11.81,14.00,4.177,5.695,6.217,6.634, + 4 6.579,7.092, 7.28,7.361,7.459,8.337,7.576,8.994,5.786,7.344, + 5 8.608,9.010,10.45,12.13,3.894,5.212,5.577,5.539,5.473,5.525, + 6 5.582,5.644,5.670,6.150,5.864,5.939,6.022,6.108,6.184,6.254, + 7 5.426,6.825,7.550,7.864,7.834,8.438,8.967,8.959,9.226,10.44, + 8 6.108,7.417,7.286,8.414, 9.0,10.75,4.073,5.278, 5.17,6.307, + 9 5.89,6.194,6.266,6.026,5.974/ +c +c xchi2 = second ionization potential (ev) +c a value of 30 in the chi data denotes an unknown value + data xchi2/ + * 50.00,54.42,75.64,18.21,25.16,24.38,29.60,35.12,34.97,40.96, + * 47.29,15.04,18.83,16.35,19.77,23.34,23.81,27.63,31.63,11.87, + * 12.80,13.58,14.66,16.50,15.64,16.19,17.08,18.17,20.29,17.96, + * 20.52,15.94,18.59,21.16,21.81,24.36,27.29,11.03,12.22,13.13, + * 14.32,16.16,15.26,16.76,18.08,19.43,21.49,16.91,18.87,14.63, + * 16.53, 18.6,19.13,20.98,23.16,10.00, 11.1, 10.8, 10.6, 10.7, + * 10.9, 11.1,11.24, 12.1, 11.5, 11.7, 11.8, 11.9, 12.1,12.18, + * 13.9, 14.9, 16.2, 17.7, 16.6, 17.0, 30.,18.56, 20.5,18.76, + * 20.43,15.03,16.70, 19.0, 30., 30., 22.0,10.15,11.75, 11.9, + * 12.0, 11.9, 30., 30., 30./ +c +c xchi3 = third ionization potential (ev) +c a value of 60 in the chi data denotes an unknown value +c a valu of 99.99 denotes a very large value + data xchi3/ + * 90.00,90.00,122.5,153.9,37.93,47.89,47.45,54.94,62.71,63.46, + * 71.62,80.14,28.45,33.49,30.20,34.83,39.61,40.91,45.81,50.91, + * 24.76,27.49,29.31, 31.0,33.67,30.65, 33.5, 35.3,36.84,39.72, + * 30.73, 34.2, 28.4,30.82, 35.9,36.95, 39.2,42.88,20.53, 23.1, + * 25.0, 27.2, 29.5, 28.5, 31.1, 32.9, 34.8,37.47, 28.0,30.50, + * 25.32,27.96, 33.0, 31.0, 33.4, 35.8,19.18,20.20,21.62, 22.1, + * 22.3, 23.4, 24.9, 20.6, 21.9, 22.8, 22.8, 22.7, 23.7,25.05, + * 20.96, 23.3, 60., 60., 60., 60., 60., 60., 34., 34.2, + * 29.85,31.94,25.56, 60., 60., 60., 60., 60., 20., 18.3, + * 60., 20., 60., 60., 60./ +c +c these partition function constants are from ATLAS9; not that those +c data do not extend to the third ion (e.g. Ag IV) for elements +c heavier than Ni, and they should be updated as needed. Here I +c simply put placeholder partition function data + data ((nudata(l,m),l=1,6),m= 1, 20)/ + * 200020001, 200020011, 201620881, 231228281, 378953411, 10, H 01 + * 100010001, 100010001, 100010001, 100010001, 100010001, 11, + * 100010001, 100010001, 100010001, 100010001, 100010001, 12, + * 100010001, 100010001, 100010001, 100010001, 100010001, 13, + * 100010001, 100010011, 102111241, 145022061, 363059451, 20, He 02 + * 200020001, 200020071, 208524971, 382669341, 128222452, 21, + * 100010001, 100010001, 100010001, 100010001, 100010001, 22, + * 100010001, 100010001, 100010001, 100010001, 100010001, 23, + * 200020011, 201220481, 212922881, 258731081, 394251691, 30, Li 03 + * 100010001, 100010201, 126225521, 67216512, 351165562, 31, + * 200020001, 200020211, 227936571, 69610342, 137217102, 32, + * 100010001, 100010001, 100010001, 100010001, 100010001, 33, + * 100010051, 104311441, 131615641, 190623681, 298037691, 40, Be 04 + * 200120231, 211422771, 249627631, 309034911, 398545051, 41, + * 100010001, 100010201, 126225521, 67216512, 351165562, 42, + * 200020001, 200020011, 201220661, 223426161, 332644691, 43, + * 600060001, 600560281, 608761991, 637466191, 693973361, 50, B 05 + * 100310831, 132016901, 214226411, 315736741, 419147071, 51, + * 200721061, 233526401, 297533311, 369040481, 440747651, 52, + * 100010001, 100010001, 100010001, 100010001, 100010001, 53/ + data ((nudata(l,m),l=1,6),m= 21, 40)/ + * 893292271, 96110042, 105311262, 126315202, 196126432, 60, C 06 + * 595060251, 620865751, 713280191, 95712292, 167623542, 61, + * 105513201, 180324851, 341851341, 88416332, 296550722, 62, + * 204922771, 262630421, 350941931, 494556971, 644872001, 63, + * 403141851, 457051681, 594071181, 92913362, 203331152, 70, N 07 + * 919899541, 107211512, 124914302, 182526232, 403762662, 71, + * 596862721, 684177081, 88110342, 128317062, 239334312, 72, + * 112816481, 240733751, 462068491, 116419932, 283736822, 73, + * 874789691, 924795711, 99410492, 115213492, 169022242, 80, O 08 + * 424151091, 622874781, 91312832, 221842502, 79914013, 81, + * 95610702, 118113032, 149619922, 329761642, 101914173, 82, + * 603567171, 775391141, 106612482, 143716252, 181420032, 83, + * 575958511, 589859231, 595860671, 636470031, 815199581, 90, F 09 + * 900296401, 102610802, 113912542, 152921152, 318348952, 91, + * 469162651, 791295541, 121419552, 402686872, 154822203, 92, + * 99511422, 129214572, 170523002, 320140922, 498458762, 93, + * 100010001, 100010051, 105313051, 210239461, 74013022, 100, Ne 10 + * 580158751, 591759741, 642687101, 159332652, 64111533, 101, + * 93510272, 110411662, 127116062, 257647882, 75110223, 102, + * 529774371, 94611322, 135816202, 188221442, 240626682, 103/ + data ((nudata(l,m),l=1,6),m= 41, 60)/ + * 200020001, 200320211, 207322131, 253031421, 417657451, 110, Na 11 + * 100010001, 100010161, 119621261, 50711872, 246445382, 111, + * 580158751, 591860351, 71813142, 321968812, 106014333, 112, + * 96910772, 116012242, 130714232, 153916552, 177118872, 113, + * 100010011, 101410621, 118414581, 204831781, 509479731, 120, Mg 12 + * 200120051, 202921001, 226926901, 368457091, 92814872, 121, + * 100010001, 100110611, 177455431, 176546012, 99718753, 122, + * 579758751, 591459501, 600560591, 611461681, 622362781, 123, + * 558857701, 583558761, 593260591, 635969541, 796790971, 130, Al 13 + * 100310211, 110313021, 172828201, 55311252, 215637942, 131, + * 200320201, 208622331, 250530971, 410251081, 611571211, 132, + * 100010001, 100210881, 207436531, 523168101, 838999681, 133, + * 825189211, 95210052, 106211532, 134317202, 237934082, 140, Si 14 + * 563057761, 588160311, 631768671, 791097651, 127817282, 141, + * 101110771, 126716471, 232438081, 71914052, 262045302, 142, + * 200720521, 217224081, 284439171, 551370951, 86810262, 143, + * 402643441, 496757481, 658274401, 833492941, 103511532, 150, P 15 + * 874497931, 106011282, 119812802, 138415142, 164717802, 151, + * 564058061, 604164611, 709579551, 90410172, 112912422, 152, + * 100811411, 149720221, 280936121, 441552181, 602168241, 153/ + data ((nudata(l,m),l=1,6),m= 61, 80)/ + * 822887891, 930697831, 102610932, 121614492, 185124742, 160, S 16 + * 443056011, 694982961, 96911522, 144218572, 227326892, 161, + * 91610392, 113512242, 136416942, 233429882, 364242962, 162, + * 560058861, 633871081, 82410062, 123314602, 168619132, 163, + * 538155931, 571657911, 598067191, 89013782, 227737172, 170, Cl 17 + * 873396771, 104411072, 118513532, 175525872, 406763932, 171, + * 506569571, 87610522, 134421682, 439092662, 182132573, 172, + * 95110872, 120013232, 154921252, 345149322, 641378942, 173, + * 100010001, 100010051, 106913911, 240147261, 90716112, 180, Ar 18 + * 550256831, 578158781, 636585461, 151530162, 58010303, 181, + * 92110362, 112412002, 133216772, 254443722, 76512833, 182, + * 582082081, 103112292, 149920212, 309750502, 720793642, 183, + * 200020011, 200720361, 211923291, 280137141, 525575741, 190, K 19 + * 100010001, 100110341, 135929551, 79119282, 405274892, 191, + * 554657081, 581260301, 73012702, 285363872, 129023363, 192, + * 96010862, 118413212, 180836632, 90321023, 416863253, 193, + * 100110061, 104311741, 145919971, 294345051, 69010322, 200, Ca 20 + * 205822781, 279234761, 427553061, 688994901, 136319772, 201, + * 100010001, 100510821, 168744821, 130232522, 69012813, 202, + * 555157161, 585662471, 82816862, 42510013, 168423663, 203/ + data ((nudata(l,m),l=1,6),m= 81,100)/ + * 924696691, 105212282, 151219062, 240530032, 368944512, 210, Sc 21 + * 190424662, 297634542, 391743752, 482952832, 573761912, 211, + * 976799291, 101110322, 105810882, 111911502, 118112122, 212, + * 100010001, 100510821, 168744821, 130232522, 69012813, 213, + * 181021172, 260333222, 430155582, 710089242, 110213293, 220, Ti 22 + * 474659872, 721284672, 98211413, 134515623, 177919963, 221, + * 228327012, 308134272, 381143862, 534563472, 734983512, 222, + * 971498311, 99210032, 102610572, 108711172, 114711782, 223, + * 272835172, 425851532, 632278322, 97212013, 146817723, 230, V 23 + * 373954132, 743597002, 121414713, 173920143, 229225713, 231, + * 323142642, 519660272, 679975352, 824789522, 96610363, 232, + * 248329302, 324234952, 373439752, 421744582, 469949412, 233, + * 717277611, 92911652, 152620872, 295141952, 550468122, 240, Cr 24 + * 71611552, 205635512, 558281952, 115315823, 205625293, 241, + * 280639822, 538369722, 87610823, 129115003, 170919183, 242, + * 377150952, 616070292, 791788382, 97610683, 116012523, 243, + * 600060321, 629270891, 86911302, 151020222, 267534752, 250, Mn 25 + * 739594821, 139921212, 309342852, 567372412, 97112553, 251, + * 98417472, 265535782, 454754842, 641973532, 828792212, 252, + * 328847052, 586668342, 771785912, 94710343, 112112093, 253/ + data ((nudata(l,m),l=1,6),m=101,120)/ + * 197023222, 274433302, 416753952, 723799822, 139419053, 260, Fe 26 + * 409453722, 686687452, 110213823, 174322233, 286437043, 261, + * 262136422, 501167232, 87911303, 138916483, 190721673, 262, + * 98723522, 420363072, 87011423, 145117913, 215925463, 263, + * 199427202, 335740022, 474957182, 708090462, 118315403, 270, Co 27 + * 279739202, 490858232, 684582472, 104713233, 159818733, 271, + * 279836622, 461857562, 720693022, 124915873, 192522633, 272, + * 262136422, 501167232, 87911303, 138916483, 190821673, 273, + * 227027622, 306233052, 356839222, 446052912, 652382292, 280, Ni 28 + * 108416342, 222428472, 353944332, 577378932, 110314303, 281, + * 198724282, 293236452, 468362702, 86511123, 136016073, 282, + * 279836622, 461857562, 720693022, 124915873, 192522633, 283, + * 201620781, 231026761, 314737361, 450555381, 692386911, 290, Cu 29 + * 109415761, 247938311, 58910042, 190937022, 68311693, 291, + * 897195961, 107212972, 165021182, 260230862, 356940532, 292, + * 100010001, 100010001, 100010001, 100010001, 100010001, 293, + * 100010001, 100410231, 108712611, 167124841, 388460411, 300, Zn 30 + * 200020021, 201620761, 223726341, 351352061, 80812472, 301, + * 100610471, 122617301, 300566361, 149924112, 332342352, 302, + * 100010001, 100010001, 100010001, 100010001, 100010001, 303/ + data ((nudata(l,m),l=1,6),m=121,140)/ + * 403245601, 493151431, 529654331, 559358091, 611065171, 310, Ga 31 + * 99710051, 104511541, 135016501, 208226431, 321837921, 311, + * 199820071, 204521391, 229124761, 266028451, 302932131, 312, + * 100010001, 100010001, 100010001, 100010001, 100010001, 313, + * 502665261, 755183501, 901496201, 102410942, 117912812, 320, Ge 32 + * 422848161, 512153401, 557458941, 636270361, 794489061, 321, + * 100010261, 114613921, 175221251, 249828711, 324436181, 322, + * 100010001, 100010001, 100010001, 100010001, 100010001, 323, + * 403143241, 491856701, 649173781, 840396751, 113013392, 330, As 33 + * 593676641, 884697521, 105911572, 129515012, 180322212, 331, + * 484470541, 91510972, 125614082, 157017612, 199722912, 332, + * 100010001, 100010001, 100010001, 100010001, 100010001, 333, + * 630172361, 799686381, 919797221, 102810942, 117712832, 340, Se 34 + * 438055511, 691582151, 94510732, 121413672, 152016732, 341, + * 651982921, 94610382, 113212492, 139515462, 169718482, 342, + * 100010001, 100010001, 100010001, 100010001, 100010001, 343, + * 437347431, 498951671, 538559501, 74710812, 169126672, 350, Br 35 + * 705183611, 93510092, 111614162, 222932532, 427652992, 351, + * 510869921, 87410312, 123116552, 236530712, 377744832, 352, + * 100010001, 100010001, 100010001, 100010001, 100010001, 353/ + data ((nudata(l,m),l=1,6),m=141,160)/ + * 100010001, 100010051, 105012781, 198535971, 65911422, 360, Kr 36 + * 461049811, 522254261, 609088131, 168935052, 68612253, 361, + * 759990901, 101911142, 129017782, 302856642, 99414333, 362, + * 100010001, 100010001, 100010001, 100010001, 100010001, 363, + * 200020011, 200720361, 211523021, 269434141, 459163351, 370, Rb 37 + * 100010001, 100110321, 129524961, 61014202, 291753192, 371, + * 473650891, 533156051, 66810932, 232950852, 99915303, 372, + * 100010001, 100010001, 100010001, 100010001, 100010001, 373, + * 100110041, 104111741, 146019721, 281941411, 607785251, 380, Sr 38 + * 202621931, 255331271, 384347931, 624085761, 122417632, 381, + * 100010001, 100110321, 129524961, 61014202, 291753192, 382, + * 100010001, 100010001, 100010001, 100010001, 100010001, 383, + * 791587851, 100012192, 155119942, 254031782, 389946932, 390, Y 39 + * 118217102, 220827002, 319036792, 416646512, 513256072, 391, + * 92510012, 104710862, 112311612, 120212472, 132814282, 392, + * 100010001, 100010001, 100010001, 100010001, 100010001, 393, + * 141320802, 291439702, 531170262, 92712273, 162521053, 400, Zr 40 + * 354454352, 724689652, 107212643, 148517093, 193321573, 401, + * 209727032, 324537052, 415446282, 510255752, 604965222, 402, + * 100010001, 100010001, 100010001, 100010001, 100010001, 403/ + data ((nudata(l,m),l=1,6),m=161,180)/ + * 256636022, 465759302, 749693962, 116514243, 171520333, 410, Nb 41 + * 335157222, 84511463, 147718363, 221826083, 299933893, 411, + * 223725352, 280830972, 340937362, 406844002, 473150632, 412, + * 100010001, 100010001, 100010001, 100010001, 100010001, 413, + * 703972941, 82610822, 154822682, 327244912, 571469372, 420, Mo 42 + * 75714552, 274347322, 718897632, 123414913, 174920063, 421, + * 267645462, 669890262, 115514323, 173620673, 242528083, 422, + * 100010001, 100010001, 100010001, 100010001, 100010001, 423, + * 90613732, 184823562, 291735332, 419949102, 565764332, 430, Tc 43 + * 131318312, 227126932, 311735452, 397644072, 483852692, 431, + * 204721673, 234725733, 284031463, 348738613, 426546943, 432, + * 100010001, 100010001, 100010001, 100010001, 100010001, 433, + * 176824122, 318941082, 515263202, 761790472, 106112303, 440, Ru 44 + * 221934642, 501968372, 88911173, 136316243, 189221613, 441, + * 210622722, 241025422, 267928262, 297731272, 327834282, 442, + * 100010001, 100010001, 100010001, 100010001, 100010001, 443, + * 148520202, 255230902, 364942462, 489656082, 638872352, 450, Rh 45 + * 153421292, 288137912, 484660322, 720187062, 101011483, 451, + * 254537212, 492362292, 770592182, 107312243, 137615273, 452, + * 100010001, 100010001, 100010001, 100010001, 100010001, 443/ + data ((nudata(l,m),l=1,6),m=181,200)/ + * 115919651, 320746011, 607576761, 95011642, 141817172, 460, Pd 46 + * 755087211, 105913442, 173122222, 282034722, 412247732, 461, + * 180223462, 289735212, 414247632, 538460052, 662672472, 462, + * 100010001, 100010001, 100010001, 100010001, 100010001, 463, + * 200020001, 200220141, 206422141, 257633021, 455164681, 470, Ag 47 + * 100810581, 125817401, 260641031, 66210072, 135316982, 471, + * 795887491, 97711762, 156620252, 248329422, 340038582, 472, + * 100010001, 100010001, 100010001, 100010001, 100010001, 473, + * 100010001, 100410241, 109212891, 176827421, 444268771, 480, Cd 48 + * 200020021, 201720921, 233329881, 451475371, 127520782, 481, + * 100310281, 114815371, 246138311, 519265531, 791492761, 482, + * 100010001, 100010001, 100010001, 100010001, 100010001, 483, + * 252431921, 368440461, 433746521, 512259221, 723389021, 490, In 49 + * 100110071, 104611651, 146118581, 225426511, 304734431, 491, + * 200120111, 205021611, 243628031, 317035371, 390442701, 492, + * 100010001, 100010001, 100010001, 100010001, 100010001, 493, + * 232637101, 488058571, 669074381, 816189091, 97210632, 500, Sn 50 + * 286335941, 408144471, 479351961, 571862901, 686274341, 501, + * 100010251, 114013811, 175321601, 256829751, 338337901, 502, + * 100010001, 100010001, 100010001, 100010001, 100010001, 503/ + data ((nudata(l,m),l=1,6),m=201,220)/ + * 404043481, 494656811, 646772781, 813490751, 101411372, 510, Sb 51 + * 303147981, 618472951, 827392621, 103711702, 131214532, 511, + * 313037601, 429347901, 536260591, 689477591, 862494881, 512, + * 100010001, 100010001, 100010001, 100010001, 100010001, 513, + * 526258801, 657372351, 784284071, 897095741, 102711082, 520, Te 52 + * 440855541, 686481251, 93810792, 125414792, 176321132, 521, + * 349054751, 699883081, 96611302, 134216202, 197724212, 522, + * 100010001, 100010001, 100010001, 100010001, 100010001, 523, + * 405342041, 438645621, 475751071, 587974491, 102214572, 530, I 53 + * 568567471, 773485861, 94510362, 112712182, 130914002, 531, + * 514269581, 86910562, 130716652, 215327742, 351843662, 532, + * 100010001, 100010001, 100010001, 100010001, 100010001, 533, + * 100010001, 100010091, 109515351, 291060661, 119621482, 540, Xe 54 + * 414844131, 465649111, 538464651, 87112232, 158019362, 541, + * 615475101, 867797531, 112213462, 157618062, 203622662, 542, + * 100010001, 100010001, 100010001, 100010001, 100010001, 543, + * 200020001, 201020501, 215623871, 283536181, 462756261, 550, Cs 55 + * 100010001, 100310371, 119016501, 269146361, 77912412, 551, + * 424445601, 481750061, 516953311, 549356551, 581759791, 552, + * 100010001, 100010001, 100010001, 100010001, 100010001, 553/ + data ((nudata(l,m),l=1,6),m=221,240)/ + * 101210791, 135119351, 282340571, 574580391, 111015062, 560, Ba 56 + * 262638611, 504160621, 698579371, 91010692, 129115952, 561, + * 100010001, 100310351, 118416321, 264945521, 76512182, 562, + * 100010001, 100010001, 100010001, 100010001, 100010001, 563, + * 71111992, 172323592, 312540402, 510763182, 765791012, 570, La 57 + * 204529582, 383647882, 582469262, 807992692, 104911723, 571, + * 94712552, 148416582, 179819212, 203621522, 227424042, 572, + * 100010001, 100010001, 100010001, 100010001, 100010001, 573, + * 295959132, 103515693, 215527593, 335939413, 449650223, 580, Ce 58 + * 79718153, 289639443, 495159253, 686877533, 863794813, 581, + * 298640242, 475053692, 596965912, 725379692, 872094692, 582, + * 100010001, 100010001, 100010001, 100010001, 100010001, 583, + * 460693672, 158523823, 327242303, 519661563, 709379783, 590, Pr 59 + * 455480232, 114014653, 178521013, 240927073, 299232633, 591, + * 46410533, 183826893, 354443773, 518459633, 674375243, 592, + * 100010001, 100010001, 100010001, 100010001, 100010001, 593, + * 139623042, 364860002, 96114603, 209828633, 373446973, 600, Nd 60 + * 460493692, 158523823, 327142303, 519661563, 709279783, 601, + * 455480232, 114014653, 178521013, 240927073, 299232633, 602, + * 100010001, 100010001, 100010001, 100010001, 100010001, 603/ + data ((nudata(l,m),l=1,6),m=241,260)/ + * 131720482, 280535692, 441254492, 676583972, 103412583, 610, Pm 61 + * 139623042, 364860002, 96114603, 209828633, 373446973, 611, + * 460493682, 158523823, 327142303, 519661563, 709279783, 612, + * 100010001, 100010001, 100010001, 100010001, 100010001, 613, + * 92915672, 222431062, 444763802, 89612173, 159520253, 620, Sm 62 + * 315059662, 97114563, 204627093, 342541693, 490556383, 621, + * 269037812, 520270372, 91111273, 133915483, 172719093, 622, + * 100010001, 100010001, 100010001, 100010001, 100010001, 623, + * 800080571, 851699301, 127617362, 240433032, 444958442, 630, Eu 63 + * 125416052, 211828182, 375549622, 644381732, 101112213, 631, + * 800080571, 851699301, 127617362, 240433032, 444958442, 632, + * 100010001, 100010001, 100010001, 100010001, 100010001, 633, + * 240432982, 427555202, 708489962, 112613853, 167319843, 640, Gd 64 + * 534793262, 139219123, 247730843, 371043333, 495055893, 641, + * 364145232, 514756362, 604864112, 673870372, 732276072, 642, + * 100010001, 100010001, 100010001, 100010001, 100010001, 643, + * 480767202, 89011393, 144118243, 230028753, 354142883, 650, Yb 65 + * 480767192, 89011393, 144118243, 230028753, 354142883, 651, + * 480767202, 89011393, 144118243, 230028753, 354142883, 652, + * 100010001, 100010001, 100010001, 100010001, 100010001, 653/ + data ((nudata(l,m),l=1,6),m=261,280)/ + * 343147532, 645887152, 115314793, 183322063, 257729373, 660, Dy 66 + * 343147532, 645887142, 115314793, 183322063, 257729373, 661, + * 343147532, 645887142, 115314793, 183322063, 257729373, 662, + * 100010001, 100010001, 100010001, 100010001, 100010001, 663, + * 222635002, 542276772, 100312353, 145716713, 187020703, 670, Ho 67 + * 222635002, 542276772, 100312353, 145716713, 187020703, 671, + * 222635002, 542276772, 100312353, 145716713, 187020703, 672, + * 100010001, 100010001, 100010001, 100010001, 100010001, 673, + * 133715382, 209130152, 429859382, 79410293, 129815983, 680, Er 68 + * 265934782, 497877532, 120517733, 245032063, 400448073, 681, + * 265934782, 497877532, 120517733, 245032063, 400448073, 682, + * 100010001, 100010001, 100010001, 100010001, 100010001, 683, + * 800381111, 87510702, 147621462, 310343462, 585475982, 690, Tm 69 + * 156718872, 279244452, 678196342, 128316243, 197823443, 691, + * 93517192, 364666132, 103414613, 192624193, 293334613, 692, + * 100010001, 100010001, 100010001, 100010001, 100010001, 693, + * 100010011, 101310651, 118613951, 169120661, 250629971, 700, Yb 70 + * 200120901, 270345231, 81714042, 223533112, 461959862, 701, + * 100312561, 250851931, 91914182, 198626022, 323638692, 702, + * 100010001, 100010001, 100010001, 100010001, 100010001, 703/ + data ((nudata(l,m),l=1,6),m=281,300)/ + * 514664441, 759086851, 99211442, 133315612, 182721252, 710, Lu 71 + *-125924831, 438667801, 98714112, 199727872, 380850742, 711, + * 323948621, 661297271, 158626482, 426865032, 93712843, 712, + * 100010001, 100010001, 100010001, 100010001, 100010001, 713, + * 659294081, 128016962, 222528952, 372047062, 585171462, 720, Hf 72 + * 99117882, 274638812, 520867322, 84410313, 123314453, 721, + * 187427702, 343739872, 448049452, 539358282, 625266642, 722, + * 100010001, 100010001, 100010001, 100010001, 100010001, 723, + * 65210892, 171325762, 373552252, 705192012, 116414343, 730, Ta 73 + * 192837842, 600784802, 111113823, 165419233, 218524383, 731, + * 99117872, 274638812, 520867312, 84410313, 123314453, 732, + * 100010001, 100010001, 100010001, 100010001, 100010001, 733, + * 398981651, 130019172, 273438022, 516168382, 88411163, 740, Wl 74 + * 131429482, 523279952, 111414623, 183422233, 262130233, 741, + * 192837842, 600784792, 111113823, 165419233, 218524383, 742, + * 100010001, 100010001, 100010001, 100010001, 100010001, 743, + * 600963001, 75910412, 150121572, 301940972, 539168952, 750, Re 75 + * 73710852, 190731262, 464964142, 83810503, 127315053, 751, + * 131429482, 523279952, 111414623, 183422233, 262130233, 752, + * 100010001, 100010001, 100010001, 100010001, 100010001, 753/ + data ((nudata(l,m),l=1,6),m=301,320)/ + * 110815502, 216829732, 398752322, 672484682, 104612673, 760, Os 76 + * 168225972, 362046562, 566766422, 757484612, 93010103, 761, + * 73710852, 190731262, 464964142, 83810503, 127315053, 762, + * 100010001, 100010001, 100010001, 100010001, 100010001, 763, + * 129117892, 239430882, 388748292, 596173252, 89510843, 770, Ir 77 + * 110815502, 216829732, 398752322, 672484682, 104612673, 771, + * 168225972, 362046562, 566766422, 757484612, 93010103, 772, + * 100010001, 100010001, 100010001, 100010001, 100010001, 773, + * 158918512, 207523002, 254328242, 316335762, 407246582, 780, Pt 78 + * 98115462, 224930742, 401150612, 623475412, 89910583, 781, + * 110815502, 216829732, 398752322, 672484682, 104612673, 782, + * 100010001, 100010001, 100010001, 100010001, 100010001, 783, + * 203222611, 265731251, 364042301, 494958601, 702084731, 790, Au 79 + * 120521331, 357753801, 75310062, 130516572, 206925452, 791, + * 651780821, 108814772, 195925252, 316338622, 460853882, 792, + * 100010001, 100010001, 100010001, 100010001, 100010001, 793, + * 100010001, 100110111, 105211851, 152122101, 341552811, 800, Hg 80 + * 200320211, 210023021, 268834231, 480472341, 111416912, 801, + * 104012871, 186129471, 458664151, 82410072, 119013732, 802, + * 100010001, 100010001, 100010001, 100010001, 100010001, 803/ + data ((nudata(l,m),l=1,6),m=321,340)/ + * 200420711, 222424271, 265429161, 325637371, 442853911, 810, Tl 81 + * 100010021, 101910801, 121414641, 189525811, 358949721, 811, + * 200020311, 216624611, 296337451, 489064791, 85711212, 812, + * 100010001, 100010001, 100010001, 100010001, 100010001, 813, + * 103411711, 147819101, 244331781, 434862751, 93113762, 820, Pb 82 + * 204122231, 248227841, 311535621, 429153941, 651976431, 821, + * 100210131, 106812201, 154522671, 381665951, 95512512, 822, + * 100010001, 100010001, 100010001, 100010001, 100010001, 823, + * 400140351, 416944121, 474851591, 564362181, 690477231, 830, Bi 83 + * 106814451, 204427341, 350744811, 586879131, 108314772, 831, + * 205523051, 264830231, 345439921, 469156001, 675281671, 832, + * 100010001, 100010001, 100010001, 100010001, 100010001, 833, + * 500950661, 518153561, 559058941, 628968071, 748483501, 840, Po 84 + * 443756241, 696282451, 95411012, 128615262, 182922012, 841, + * 336953201, 682481011, 93810882, 127915272, 184622442, 842, + * 100010001, 100010001, 100010001, 100010001, 100010001, 843, + * 402841621, 431544771, 463148311, 520059491, 734896851, 850, At 85 + * 576168741, 788387631, 96910642, 116012552, 135014462, 851, + * 490265341, 812797201, 116614322, 179622692, 285035302, 852, + * 100010001, 100010001, 100010001, 100010001, 100010001, 853/ + data ((nudata(l,m),l=1,6),m=341,360)/ + * 100010001, 100010031, 102311051, 133018071, 264539391, 860, Rn 86 + * 402841621, 431544771, 463148311, 520059491, 734996851, 861, + * 576168741, 788387631, 96910642, 116012552, 135014462, 862, + * 100010001, 100010001, 100010001, 100010001, 100010001, 863, + * 200020011, 201220591, 218124481, 296538611, 488859141, 870, Fr 87 + * 100010001, 100010031, 102311051, 133018071, 264539401, 871, + * 421645151, 477449611, 511852711, 542455761, 572958821, 872, + * 100010001, 100010001, 100010001, 100010001, 100010001, 873, + * 100010041, 105212131, 153220271, 270435641, 460258111, 880, Ra 88 + * 201221791, 258131471, 381645781, 546365131, 777592781, 881, + * 100010001, 100010031, 102311051, 133018071, 264539391, 882, + * 100010001, 100010001, 100010001, 100010001, 100010001, 883, + * 510064491, 82710872, 142718412, 232328712, 348341572, 890, Ac 89 + * 228951571, 88513232, 183324132, 305537492, 448152402, 891, + * 723989131, 103511752, 130814352, 155416652, 177018682, 892, + * 100010001, 100010001, 100010001, 100010001, 100010001, 893, + * 620099241, 162725772, 391457072, 80110833, 141818023, 900, Th 90 + * 620099241, 162725772, 391457072, 80110833, 141818023, 901, + * 620099251, 162725772, 391457072, 80110833, 141818023, 902, + * 100010001, 100010001, 100010001, 100010001, 100010001, 903/ + data ((nudata(l,m),l=1,6),m=361,380)/ + * 347877992, 129318323, 240730533, 380546863, 570368573, 910, Pa 91 + * 347877992, 129318323, 240730533, 380546863, 570368573, 911, + * 347777992, 129318323, 240730533, 380546863, 570368573, 912, + * 100010001, 100010001, 100010001, 100010001, 100010001, 913, + * 209530092, 450866762, 96613623, 186524763, 318839893, 920, U 92 + * 209530092, 450866762, 96613623, 186524763, 318839893, 921, + * 209530092, 450866762, 96613623, 186524763, 318839893, 922, + * 100010001, 100010001, 100010001, 100010001, 100010001, 933, + * 209530092, 450866762, 96613623, 186524763, 318839893, 930, Np 93 + * 209530092, 450866762, 96613623, 186524763, 318839893, 931, + * 209530092, 450866762, 96613623, 186524763, 318839893, 932, + * 100010001, 100010001, 100010001, 100010001, 100010001, 933, + * 209530092, 450866762, 96613623, 186524763, 318839893, 940, Pu 94 + * 209530092, 450866762, 96613623, 186524763, 318839893, 941, + * 209530092, 450866762, 96613623, 186524763, 318839893, 942, + * 100010001, 100010001, 100010001, 100010001, 100010001, 943, + * 209530092, 450866762, 96613623, 186524763, 318839893, 950, Am 95 + * 209530092, 450866762, 96613623, 186524763, 318839893, 951, + * 209530092, 450866762, 96613623, 186524763, 318839893, 952, + * 100010001, 100010001, 100010001, 100010001, 100010001, 953/ + +c the *partflag* array signals that a species has a revised partition +c function by having a non-zero value in the array position for that +c species; the non-zero number then points to the correct data in +c the *newpartdata* array of updated coefficients. For example, +c partflag(24,2) = 01, meaning that Cr II has updated partition function +c coefficients, which can be found in newpartdata(01,1,...,6) + data ((partflag(l,m),m=1,4),l= 1,40)/ + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Be 04 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, O 08 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Mg 12 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, S 16 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Ca 20 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 01, 0, 0, Cr 24 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Ni 28 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Ge 32 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Kr 36 + . 02, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0/ Zr 40 + data ((partflag(l,m),m=1,4),l=41,80)/ + . 0, 0, 0, 0, 0, 03, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Ru 44 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Cd 48 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Te 52 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Ba 56 + . 0, 0, 0, 0, 0, 0, 0, 0, 04, 05, 0, 0, 06, 07, 0, 0, Nd 60 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 21, 0, 08, 0, 0, 0, Gd 64 + . 09, 10, 22, 0, 11, 12, 23, 0, 0, 13, 24, 0, 14, 15, 25, 0, Er 68 + . 0, 0, 0, 0, 16, 0, 0, 0, 0, 17, 0, 0, 0, 0, 0, 0, Hf 72 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Os 76 + . 0, 28, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0/ Hg 80 + data ((partflag(l,m),m=1,4),l=81,95)/ + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Po 84 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, Ra 88 + . 0, 0, 0, 0, 18, 19, 26, 0, 0, 0, 0, 0, 0, 20, 27, 0, U 92 + . 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 / + +c Cr II new partition function coefficients + data (newpartdata(01,i),i=1,6)/ 2.66384894d+3, -1.68227473d+3, + . 4.22830259d+2, -5.28071678d+1, 3.27472214d+0, -8.05963460d-2/ +c Rb I new partition function coefficients + data (newpartdata(02,i),i=1,6)/ 5.03676283d+3, -3.16069504d+3, + . 7.89175381d+2, -9.79501783d+1, 6.04047992d+0, -1.47981323d-1/ +c Mo II new partition function coefficients + data (newpartdata(03,i),i=1,6)/ 4.16034835d+3, -2.65480884d+3, + . 6.74631372d+2, -8.52665787d+1, 5.35745654d+0, -1.33793443d-1/ +c Pr I new partition function coefficients + data (newpartdata(04,i),i=1,6)/ -3.04466224d+3, 1.88966140d+3, + . -4.64804826d+2, 5.66502603d+1, -3.42059183d+0, 8.19184298d-2/ +c Pr II new partition function coefficients (modified June 25, 2008) + data (newpartdata(05,i),i=1,6)/ -1.91609088d+3, 1.18545447d+3, + . -2.90543602d+2, 3.52740316d+1, -2.12000090d+0, 5.04914504d-2/ +c Nd I new partition function coefficients + data (newpartdata(06,i),i=1,6)/ -1.64889203d+3, 9.47177848d+2, + . -2.12837179d+2, 2.33051095d+1, -1.23575686d+0, 2.52043511d-2/ +c Nd II new partition function coefficients + data (newpartdata(07,i),i=1,6)/ -2.06698421d+2, 9.79972763d+1, + . -1.55582617d+1, 7.28892861d-1, 3.56166693d-2, -2.95215536d-3/ +c Gd I new partition function coefficients + data (newpartdata(08,i),i=1,6)/ 1.83011048d+3, -1.19539486d+3, + . 3.10632505d+2, -4.00859062d+1, 2.56842403d+0, -6.53128117d-2/ +c Tb I new partition function coefficients + data (newpartdata(09,i),i=1,6)/ 5.85584746d+2, -3.89743229d+2, + . 1.03759088d+2, -1.37350828d+1, 9.03674535d-1, -2.35845042d-2/ +c Tb II new partition function coefficients + data (newpartdata(10,i),i=1,6)/ -9.48002791d+2, 6.16808235d+2, + . -1.58524150d+2, 2.01610509d+1, -1.26856460d+0, 3.16355813d-2/ +c Dy I new partition function coefficients + data (newpartdata(11,i),i=1,6)/ 3.53878819d+3, -2.31997287d+3, + . 6.06023177d+2, -7.87382964d+1, 5.08456496d+0, -1.30426644d-1/ +c Dy II new partition function coefficients + data (newpartdata(12,i),i=1,6)/ 2.77061687d+3, -1.78523018d+3, + . 4.58361896d+2, -5.85341812d+1, 3.71600397d+0, -9.37402524d-2/ +c Ho II new partition function coefficients + data (newpartdata(13,i),i=1,6)/ 1.34187596d+3, -8.52533583d+2, + . 2.15784324d+2, -2.71271661d+1, 1.69281185d+0, -4.19020326d-2/ +c Er I new partition function coefficients + data (newpartdata(14,i),i=1,6)/ 2.02411710d+3, -1.35836078d+3, + . 3.62878018d+2, -4.81385931d+1, 3.16795944d+0, -8.26308027d-2/ +c Er II new partition function coefficients + data (newpartdata(15,i),i=1,6)/ 1.62058945d+3, -1.06472504d+3, + . 2.78625547d+2, -3.62193240d+1, 2.33715989d+0, -5.98219225d-2/ +c Yb I new partition function coefficients + data (newpartdata(16,i),i=1,6)/ 7.47839800d+3, -4.67427018d+3, + . 1.16206341d+3, -1.43581759d+2, 8.81293038d+0, -2.14850223d-1/ +c Lu II new partition function coefficients + data (newpartdata(17,i),i=1,6)/ 2.44026764d+3, -1.59016793d+3, + . 4.12298445d+2, -5.31395892d+1, 3.40232351d+0, -8.65004469d-2/ +c Th I new partition function coefficients + data (newpartdata(18,i),i=1,6)/ 4.76054139d+2, -3.25783548d+2, + . 8.97134083d+1, -1.23483587d+1, 8.46088455d-1, -2.29570332d-2/ +c Th II new partition function coefficients + data (newpartdata(19,i),i=1,6)/ -1.22179869d+3, 7.59698688d+2, + . -1.86944859d+2, 2.27591989d+1, -1.37021999d+0, 3.26865578d-2/ +c U II new partition function coefficients + data (newpartdata(20,i),i=1,6)/ -2.76709404d+2, 1.30426239d+2, + . -2.06221054d+1, 9.83307627d-1, 4.19297328d-2, -3.60428836d-3/ +c Eu III partition function coefficients (Irwin 1981) + data (newpartdata(21,i),i=1,6)/ -2.02846263d+3, 1.24521575d+3, + . -3.04725159d+2, 3.72010364d+1, -2.26584074d+0, 5.50893177d-2/ +c Tb III partition function coefficients (Irwin 1981) + data (newpartdata(22,i),i=1,6)/ 8.11558123d+2, -4.67434582d+2, + . 1.07583056d+2, -1.23251149d+1, 7.02860514d-1, -1.59394115d-2/ +c Dy III partition function coefficients (Irwin 1981) + data (newpartdata(23,i),i=1,6)/ 1.30822682d+3, -7.46679156d+2, + . 1.69716518d+2, -1.91592590d+1, 1.07376244d+0, -2.38653520d-2/ +c Ho III partition function coefficients (Irwin 1981) + data (newpartdata(24,i),i=1,6)/ 6.98122851d+3, -4.11418184d+3, + . 9.66307217d+2, -1.13063284d+2, 6.59141456d+0, -1.53163679d-1/ +c Er III partition function coefficients (Irwin 1981) + data (newpartdata(25,i),i=1,6)/ 2.65562213d+3, -1.49666461d+3, + . 3.34740125d+2, -3.70678109d+1, 2.02963822d+0, -4.38640816d-2/ +c Th III partition function coefficients (Irwin 1981) + data (newpartdata(26,i),i=1,6)/ 7.10076650d+3, -4.15762991d+3, + . 9.69365844d+2, -1.12510812d+2, 6.50161887d+0, -1.49626283d-1/ +c U III partition function coefficients (Irwin 1981) + data (newpartdata(27,i),i=1,6)/ 5.18480529d+3, -3.02564444d+3, + . 7.03396006d+2, -8.14028851d+1, 4.68959696d+0, -1.07563314d-1/ +c Ir II partition function coefficients (Irwin 1981) + data (newpartdata(28,i),i=1,6)/ 2.33935909d+2, -1.43786065d+2, + . 3.57641903d+1, -4.45430703d+0, 2.77258541d-1, -6.86047013d-3/ + + + end + diff --git a/Begin.f b/Begin.f new file mode 100755 index 0000000..a256824 --- /dev/null +++ b/Begin.f @@ -0,0 +1,138 @@ + + subroutine begin +c*************************************************************************** +c This routine simply starts up MOOG +c THIS VERSION IS FOR LINUX REDHAT MACHINES +c*************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + character*80 line, systemcall + integer num + + +c*****define the number of text screen lines for silent mode; +c this number is hardwired, since it is not really needed at run time. + if (silent .eq. 'y') then + maxline = 24 + write (*,*) 'maxline', maxline + pause + go to 10 + endif + + +c*****define the number of lines available on the text screen for +c interactive mode; this number is discovered from the "stty -a" +c command, for which the output format is unique to the operating +c system. + write (systemcall,*) 'stty -a > tmpsize' + call system (systemcall) + open (99,file='tmpsize') +5 read (99,1010,end=15) line + do i=1,77 + if (line(i:i+3) .eq. 'rows') then + if (machine .eq. 'pcl') then + read (line(i+4:i+6),1011) maxline + elseif (machine .eq. 'mac') then + read (line(i-4:i-2),1011) maxline + elseif (machine .eq. 'uni') then + read (line(i+6:i+8),1011) maxline + endif + go to 10 + endif + enddo + go to 5 +15 array = 'SCREEN ROW COUNT UNKNOWN; USE 24 ([y]/n)? ' + nchars = 42 + ikount = 2 + call getasci (nchars,ikount) + choice = chinfo(1:1) + if (choice.eq.'y' .or. nchars.le.0) then + go to 10 + else + call finish (0) + endif +10 close (99,status='delete') + write (systemcall,*) '\\rm -f tmpsize' + call system (systemcall) + if (maxline .lt. 10) then + maxline = 24 + else + maxline = maxline - 2 + endif + + +c*****clear the text screen + write (systemcall,*) 'clear' + call system (systemcall) + + +c*****open data files carried with the source code: Barklem damping + nfbarklem = 35 + num = 60 + call getcount (num,moogpath) + if (moogpath(num:num) .ne. '/') then + num = num + 1 + moogpath(num:num) = '/' + endif + fbarklem(1:num) = moogpath(1:num) + fbarklem(num+1:num+11) = 'Barklem.dat' + open (nfbarklem,file=fbarklem) + + +c*****open data files carried with the source code: Barklem UV damping + nfbarklemUV = 36 + num = 60 + call getcount (num,moogpath) + if (moogpath(num:num) .ne. '/') then + num = num + 1 + moogpath(num:num) = '/' + endif + fbarklemUV(1:num) = moogpath(1:num) + fbarklemUV(num+1:num+13) = 'BarklemUV.dat' + open (nfbarklemUV,file=fbarklemUV) + + +c write a header and find the appropriate parameter file, and exit normally + write (array,1001) + istat = ivwrite (1,1,array,79) + write (array,1004) + istat = ivwrite (2,1,array,79) + array = 'MOOG PARAMETERS? ' + nchars = 15 + nfparam = 50 + lscreen = 4 + if (silent .eq. 'y') then + fparam = 'batch.par' + else + fparam = 'no_filename_given' + endif + call infile ('input ',nfparam,'formatted ',0,nchars, + . fparam,lscreen) + read (nfparam,1002) control + write (array,1003) control + istat = ivwrite (2,1,array,58) + write (array,1001) + istat = ivwrite (3,1,array,79) + return + + +c*****format statements +1001 format (79('*')) +1002 format (a7) +1003 format (22x,'MOOG IS CONTROLLED BY DRIVER ',a7) +1004 format (25(' '),'MOOG LTE VERSION (NOV 2019)',26(' ')) +1010 format (a80) +1011 format (i3) + + + end + + + + + + + + diff --git a/Binary.f b/Binary.f new file mode 100755 index 0000000..e7043b2 --- /dev/null +++ b/Binary.f @@ -0,0 +1,198 @@ + + subroutine binary +c****************************************************************************** +c This program synthesizes a section of a spectroscopic binary star +c spectrum, using one model atmosphere for the primary and one model +c for the secondary, and then compares it to an observed spectrum. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Factor.com' + include 'Mol.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + include 'Multistar.com' + integer ncall + + +c*****examine the parameter file + begin = 0 + ncall = 1 +1 call params + linprintopt = linprintalt + if (begin .eq. 0) then + if (numpecatom .gt. 0) then + do i=3,95 + binpec(syncount,i) = pec(i) + do j=1,numatomsyn + binpecabund(syncount,i,j) = pecabund(i,j) + enddo + enddo + endif + else + if (numpecatom .gt. 0) then + do i=3,95 + pec(i) = binpec(syncount,i) + do j=1,numatomsyn + pecabund(i,j) = binpecabund(syncount,i,j) + enddo + enddo + endif + endif + + +c*****open the files for: standard output, raw spectrum depths, smoothed +c spectra, and (if desired) IRAF-style smoothed spectra + istat = ivcleof(5,1) + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'RAW SYNTHESIS OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + if (syncount .eq. 1) then + f7out = f2out + else + f8out = f2out + endif + if (iraf .ne. 0) then + nf4out = 23 + lscreen = lscreen + 2 + array = 'IRAF ("rtext") OUTPUT' + nchars = 24 + call infile ('output ',nf4out,'formatted ',0,nchars, + . f4out,lscreen) + endif + + +c*****open and read the model atmosphere file + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open the line list file and the strong line list file + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + if (dostrong .gt. 0) then + nfslines = 32 + lscreen = lscreen + 2 + array = 'THE STRONG LINE LIST' + nchars = 20 + call infile ('input ',nfslines,'formatted ',0,nchars, + . fslines,lscreen) + endif + + +c*****do the syntheses + if (numpecatom .eq. 0 .or. numatomsyn .eq. 0) then + isorun = 1 + nlines = 0 + mode = 3 + call inlines (1) + call eqlib + call nearly (1) + call synspec + else + do n=1,numatomsyn + isynth = n + isorun = 1 + start = oldstart + sstop = oldstop + mode = 3 + call inlines (1) + call eqlib + call nearly (1) + call synspec + linprintopt = 0 + enddo + endif + if (syncount .eq. 1) then + fluxprimary = flux + else + fluxsecondary = flux + endif + + +c*****finish the syntheses + call finish (1) + istat = ivcleof(4,1) + if (control .ne. 'gridend') go to 1 + + +c*****combine the synthetic spectra for plotting + call binplotprep + + +c*****now plot the spectrum, maybe iterating abundances, and end the program + if (plotopt.eq.2 .and. specfileopt.gt.0) then + nfobs = 33 + lscreen = lscreen + 2 + array = 'THE OBSERVED SPECTRUM' + nchars = 21 + if (specfileopt.eq.1 .or. specfileopt.eq.3) then + call infile ('input ',nfobs,'unformatted',2880,nchars, + . fobs,lscreen) + else + call infile ('input ',nfobs,'formatted ',0,nchars, + . fobs,lscreen) + endif + endif + if (plotopt .ne. 0) then + control = 'binary ' + nf2out = nf9out + nf3out = nf10out + call pltspec (lscreen,ncall) + if (choice .eq. 'n') then + do syncount=1,2 + if (numpecatom .gt. 0) then + do i=3,95 + pec(i) = binpec(syncount,i) + do j=1,numatomsyn + pecabund(i,j) = binpecabund(syncount,i,j) + enddo + enddo + endif + call chabund + do i=3,95 + binpec(syncount,i) = pec(i) + do j=1,numatomsyn + binpecabund(syncount,i,j) = pecabund(i,j) + enddo + enddo + enddo + call finish (1) + linecount = 0 + oldcount = 0 + begin = begin + 1 + choice = '1' + ncall = 2 + go to 1 + endif + endif + + call finish (0) + + end + + + + + + diff --git a/Binplot.f b/Binplot.f new file mode 100755 index 0000000..edb727f --- /dev/null +++ b/Binplot.f @@ -0,0 +1,322 @@ + + subroutine binplot +c****************************************************************************** +c This routine produces MONGO plots of the syntheses. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Quants.com' + include 'Factor.com' + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + include 'Multistar.com' + real*4 style(1) + real*4 yup,ydown + integer iflip + + +c*****for grid syntheses, dump out relevant information to a file + if (choice .eq. 'g') then + write (nf6out,3001) syncount + write (nf6out,3002) obsitle, moditle, smitle + endif + + +c*****begin with a default window + call sm_location (3500,31000,4000,30000) + call sm_window (1,1,1,1,1,1) + call sm_limits (0.0,1.0,0.0,1.0) + call defcolor (1) + + +c*****write smoothing information at the top of the plot + call sm_lweight (2.2) + call sm_expand (0.7) + call sm_relocate (-0.080,1.015) + call sm_label (smitle) + write (chinfo(1:34),3004) deltaradvel, lumratio + call sm_relocate (0.500,1.015) + call sm_label (chinfo(1:30)) + + +c*****write the non-varying isotopic information at the top of the plot + do i=1,120 + if (isoitle(i:i) .ne. ' ') go to 112 + enddo + isoitle(1:16) = 'no isotopic data' +112 call sm_relocate (-0.080,1.065) + call sm_label (isoitle(1:120)) + + +c*****define the real plot limits + if (xlo .lt. xhi) then + call sm_limits (xlo,xhi,ylo,yhi) + iflip = 0 + else + call sm_limits (xhi,xlo,ylo,yhi) + iflip = 1 + endif + call findtic (xlo,xhi,bigxtic,smlxtic) + call findtic (ylo,yhi,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the spectra + call defcolor (1) + if (whichwin .eq. '1of1') then + idev = 1 + call sm_window (1,1,1,1,1,1) + else + idev = 2 + call sm_defvar ('y_gutter','0.0') + call sm_window (1,2,1,1,1,1) + endif + call sm_lweight (4.0) + call sm_expand (1.2) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (1,2,4,4) + if (iflip .eq. 1) then + array = 'Wavenumber' + else + array = 'Wavelength' + endif + call sm_xlabel (array) + array = 'Rel Flux' + call sm_ylabel (array) + + +c*****plot the synthetic spectra + call sm_lweight (2.2) + call sm_expand (0.7) + do i=1,100 + if (pec(i) .ne. 0) go to 111 + enddo +111 do j=1,nsyn + if (choice.eq.'h' .or. choice.eq.'f' .or. + . choice.eq.'g') then + call defcolor (8) + call sm_ltype (j-1) + else + if (smterm(1:3) .eq. 'x11') then + call defcolor (j+1) + call sm_ltype (0) + else + call defcolor (1) + call sm_ltype (j-1) + endif + endif + call sm_connect (xsyn,chunk(1,j),kount) + if (iflip .eq. 1) then + call sm_relocate (xhi+0.045*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_draw (xhi+0.005*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_relocate (xhi+0.05*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + else + call sm_relocate (xlo+0.045*(xhi-xlo), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_draw (xlo+0.005*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_relocate (xlo+0.05*(xhi-xlo), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + endif + noff = 80*(j-1) + call sm_lweight (2.2) + call sm_label (abitle(noff+1:noff+80)) + enddo + call defcolor (1) + call sm_ltype (0) + + +c*****plot the observed spectrum + if (plotopt .eq. 2) then + call defcolor (1) + if (choice.eq.'h' .or. choice.eq.'f') then + call sm_lweight (4.0) + else + call sm_lweight (2.2) + endif + call sm_ltype (0) + call sm_expand (3.0) + style(1) = 43.5 + call sm_ptype (style,1) + mount = lim2obs - lim1obs + 1 + if (mount .lt. 500) then + call sm_points (xobs(lim1obs),yobs(lim1obs),mount) + else + if (histoyes .eq. 1) then + call sm_histogram (xobs(lim1obs),yobs(lim1obs),mount) + else + call sm_connect (xobs(lim1obs),yobs(lim1obs),mount) + endif + endif + call sm_lweight (2.2) + call sm_expand (0.7) + if (iflip .eq. 1) then + call sm_relocate (xhi+0.05*(xlo-xhi),ylo+0.12*(yhi-ylo)) + else + call sm_relocate (xlo+0.05*(xhi-xlo),ylo+0.12*(yhi-ylo)) + endif + call sm_label (obsitle) + endif + do i=1,2 + if (iflip .eq. 1) then + call sm_relocate (xhi+0.05*(xlo-xhi), + . ylo+0.01+0.06*(2-i)*(yhi-ylo)) + else + call sm_relocate (xlo+0.05*(xhi-xlo), + . ylo+0.01+0.06*(2-i)*(yhi-ylo)) + endif + call sm_label (modbin(i)) + enddo + if (whichwin.eq.'1of1' .or. plotopt.ne.2) then + return + endif + + +c*****this section of code is executed only if a deviations plot is desired; +c find the starting and stopping points in the arrays for the deviations + if (xsyn(kount) .le. xobs(lim1obs)) go to 1000 + if (xsyn(1) .gt. xobs(lim2obs)) go to 1000 + if (xsyn(1) .gt. xobs(lim1obs)) go to 150 + lim3obs = lim1obs + do k=2,kount + if (xsyn(k) .gt. xobs(lim3obs)) then + lim1syn = k - 1 + go to 155 + endif + enddo +150 lim1syn = 1 + do l=lim1obs,lim2obs + if (xsyn(lim1syn) .le. xobs(l)) then + lim3obs = l + go to 155 + endif + enddo +155 if (xsyn(kount) .lt. xobs(lim2obs)) go to 160 + lim4obs = lim2obs + do k=lim1syn,kount + if (xsyn(k) .gt. xobs(lim4obs)) then + lim2syn = k + go to 165 + endif + enddo +160 lim2syn = kount + do l=lim3obs,lim2obs + if (xsyn(lim2syn) .lt. xobs(l)) then + lim4obs = l - 1 + go to 165 + endif + enddo + + +c compute the deviations; linear interpolation in the wavelength array +c of the synthetic spectra is considered sufficient +165 do j=1,nsyn + lpoint = lim1syn + devsigma = 0. + do i=lim3obs,lim4obs +170 if (xsyn(lpoint+1) .lt. xobs(i)) then + lpoint = lpoint + 1 + go to 170 + endif + syninterp = (chunk(lpoint+1,j)-chunk(lpoint,j))* + . (xobs(i)-xsyn(lpoint))/(xsyn(lpoint+1)-xsyn(lpoint)) + + . chunk(lpoint,j) + dev(i) = yobs(i) - syninterp + devsigma = devsigma + dev(i)**2 + enddo + devsigma = dsqrt(devsigma/(lim4obs-lim3obs-1)) + + +c from first set of deviations, define the plot limits, draw and label box + if (j .eq. 1) then + yup = -1000. + ydown = +1000. + do i=lim3obs,lim4obs + yup = amax1(yup,dev(i)) + ydown = amin1(ydown,dev(i)) + enddo + ydelta = amin1(0.3,amax1(0.05,1.5*(yup-ydown)/2.)) + ydown = -ydelta + yup = ydelta + call sm_defvar ('y_gutter','0.0') + call sm_window (1,2,1,2,1,2) + call sm_limits (xlo,xhi,ydown,yup) + call findtic (ydown,yup,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + call sm_lweight (4.0) + call sm_expand (1.2) + call defcolor (1) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (4,2,4,4) + array = 'Obs - Comp' + call sm_ylabel (array) + call sm_relocate (xlo,0.0) + call sm_draw (xhi,0.0) + endif + + +c plot the array of deviations + if (choice.eq.'h' .or. choice.eq.'f' .or. + . choice.eq.'g') then + call defcolor (8) + call sm_ltype (j-1) + else + if (smterm(1:3) .eq. 'x11') then + call defcolor (j+1) + call sm_ltype (0) + else + call defcolor (1) + call sm_ltype (j-1) + endif + endif + call defcolor (j+1) + call sm_lweight (2.2) + call sm_connect (xobs(lim1obs),dev(lim1obs),mount) + write (array,3005) devsigma + call sm_relocate(xhi-0.2*(xhi-xlo), + . ydown+(0.10+0.06*j)*(yup-ydown)) + call sm_relocate(xhi-0.24*(xhi-xlo), + . ydown+(0.10+0.06*j)*(yup-ydown)) + call sm_draw(xhi-0.215*(xhi-xlo), + . ydown+(0.10+0.06*j)*(yup-ydown)) + call sm_label (array) + if (choice .eq. 'g') then + noff = 80*(j-1) + write (nf6out,3002) abitle(noff+1:noff+80) + write (nf6out,3003) devsigma, velsh + endif + enddo + + +c reset the spectrum plot boundaries before exiting + if(xlo .lt. xhi) then + call sm_limits (xlo,xhi,ylo,yhi) + iflip = 0 + else + call sm_limits (xhi,xlo,ylo,yhi) + iflip = 1 + endif +1000 return + + +c*****format statements +3001 format (/'RUN NUMBER:', i4, 65('-')) +3002 format (a80) +3003 format ('sigma =', f8.4, ' lambda shift =', f7.3, ' km/s') +3004 format ('del(Vr)=', f8.3, 5x, 'L1/L2=', f7.3) +3005 format ('sigma =',f8.4) + + + end + + + diff --git a/Binplotprep.f b/Binplotprep.f new file mode 100755 index 0000000..78c8ce5 --- /dev/null +++ b/Binplotprep.f @@ -0,0 +1,172 @@ + + subroutine binplotprep +c****************************************************************************** +c This routine concatenates two syntheses in order to make a smoothed +c binary synthetic spectrum +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Factor.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + include 'Multistar.com' + real*8 normalization + integer pshift, pshiftabs + + +c*****open the files + nf7out = 21 + lscreen = 4 + array = 'RAW SYNTHESIS INPUT FOR PRIMARY' + nchars = 31 + call infile ('input ',nf7out,'formatted ',0,nchars, + . f7out,lscreen) + nf8out = 22 + lscreen = lscreen + 2 + array = 'RAW SYNTHESIS INPUT FOR SECONDARY' + nchars = 33 + call infile ('input ',nf8out,'formatted ',0,nchars, + . f8out,lscreen) + nf9out = 23 + lscreen = lscreen + 2 + array = 'RAW SYNTHESIS OUTPUT FOR COMBINED BINARY' + nchars = 40 + call infile ('output ',nf9out,'formatted ',0,nchars, + . f9out,lscreen) + if (plotopt .ne. 0) then + nf10out = 24 + lscreen = lscreen + 2 + array = 'SMOOTHED SYNTHESIS OUTPUT FOR COMBINED BINARY' + nchars = 45 + call infile ('output ',nf10out,'formatted ',0,nchars, + . f10out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT FOR COMBINED BINARY' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + endif + if (plotopt .gt. 1) then + nf6out = 27 + lscreen = lscreen + 2 + array = 'SPECTRUM COMPARISON OUTPUT' + nchars = 27 + call infile ('output ',nf6out,'formatted ',0,nchars, + . f6out,lscreen) + endif + + +c*****compute and output the parameters related to the spectrum combination: +c the declared velocity difference, the luminosity ratio, and +c for information, the computed fluxes of the two stars; get the user's +c agreement + deltawave = deltaradvel/2.9979d+5*(start+sstop)/2. + pshift = nint(deltawave/step) + write (array,1002) fluxprimary, fluxsecondary + lscreen = lscreen + 2 + nchars = 55 + call putasci (nchars,lscreen) + write (array,1003) lumratio + lscreen = lscreen + 1 + nchars = 49 + call putasci (nchars,lscreen) + write (array,1001) deltaradvel, deltawave, pshift + lscreen = lscreen + 1 + nchars = 78 + call putasci (nchars,lscreen) + write (array,*) 'ARE THESE VALUES OK (y/n)? ' + lscreen = lscreen + 2 + nchars = 27 + + +c*****read back the header information from the individual star raw +c synthetic spectra +99 read (nf7out,1004,end=100) array + read (nf8out,1004) chinfo + if (array(1:7).eq.'Isotopi') then + write (nf9out,1004) array + go to 99 + elseif (array(1:7).eq.'ALL abu') then + write (nf9out,1010) array(1:59), chinfo(54:59) + go to 99 + elseif (array(1:7).eq.'Changin') then + write (nf9out,1011) array(1:37), chinfo(31:37) + go to 99 + elseif (array(1:7).eq.'element') then + write (nf9out,1012) array(1:30), chinfo(25:30) + go to 99 + elseif (array(1:7).eq.'MODEL: ') then + write (nf9out,1013) array(8:43), chinfo(8:43) + modbin(1) = array(1:80) + modbin(2) = chinfo(1:80) + endif + read (nf7out,1004) array + read (nf8out,1004) chinfo + read (array,*) start, sstop, step + kount = nint((sstop - start + (step/4.0) )/step) + 1 + write (nf9out,1004) array + + +c*****read back the raw synthetic spectra from the individual stars; +c shift by the appropriate point number, add the spectra (normalized), +c and dump to combined raw synthetic spectrum file + read (nf7out,1006) (y(i),i=1,kount) + read (nf8out,1006) (z(i),i=1,kount) + do i=1,kount + y(i) = 1.0 - y(i) + z(i) = (1.0 - z(i))/lumratio + enddo + normalization = 1.0 + 1.0/lumratio + if (pshift .gt. 0) then + do i=1,pshift + dev(i) = 1.0 + enddo + do i=pshift+1,kount + dev(i) = (y(i)+z(i-pshift))/normalization + enddo + elseif (pshift .eq. 0) then + do i=1,kount + dev(i) = (y(i)+z(i))/normalization + enddo + else + pshiftabs = iabs(pshift) + do i=1, kount-pshiftabs + dev(i) = (y(i)+z(i-pshift))/normalization + enddo + do i=kount-pshiftabs+1,kount + dev(i) = 1.0 + enddo + endif + do i=1,kount + y(i) = 1.0 - dev(i) + enddo + write (nf9out,1006) (y(i),i=1,kount) + go to 99 +100 return + + +c*****format statements +1001 format ('INPUT DELTA VELOCITY = ', f8.3, + . '; DELTA LAMBDA = ', f8.3, + . '; POINT SHIFT = ', i4) +1002 format ('PRIMARY FLUX = ', 1pe10.3, + . '; SECONDARY FLUX = ', 1pe10.3) +1003 format ('INPUT LUMINOSITY RATIO = ', 0pf8.3) +1004 format (a80) +1006 format (10f7.4) +1010 format (a59, ',', a6, ' dex') +1011 format (a37, ',', a6, ' dex') +1012 format (a30, ',', a6) +1013 format ('MODEL: ', 2a36) + + + end + + + + + + diff --git a/Blankstring.f b/Blankstring.f new file mode 100755 index 0000000..57cf62b --- /dev/null +++ b/Blankstring.f @@ -0,0 +1,18 @@ + +c*********************************************************************** + subroutine blankstring (string) +c*********************************************************************** +c this routine simply makes an 80-character string all blanks + + implicit real*8 (a-h,o-z) + character*80 string + + + do i=1,80 + string(i:i) = ' ' + enddo + return + + + end + diff --git a/Blends.f b/Blends.f new file mode 100755 index 0000000..5c886cf --- /dev/null +++ b/Blends.f @@ -0,0 +1,321 @@ + + subroutine blends +c****************************************************************************** +c This program does abundance derivations from blended spectral features; +c only one element will have its abundance derived per run. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Factor.com' + include 'Mol.com' + include 'Pstuff.com' + include 'Dummy.com' + + +c*****examine the parameter file + call params + + +c*****open the files for standard output and summary abundances + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'SUMMARY ABUNDANCE OUTPUT' + nchars = 24 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + + +c*****open and read the model atmosphere + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****initialize some variables + isynth = 1 + isorun = 1 + iatom = nint(cogatom) + pec(iatom) = 1 + numpecatom = 1 + pecabund(iatom,1) = 0. + + +c*****open and read the line list file; get ready for the line calculations + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) +100 call inlines (1) + call eqlib + call nearly (1) + + +c*****start the large loop that will go through each blended feature + ewsynthopt = -1 + mode = 4 +30 do lll=1,1000 + if (lim2line .eq. nlines) exit + + +c*****define the set of lines responsible for a blended feature + call linlimit + lim1 = lim1line + lim2 = lim2line + write (99,1007) iatom, wave1(lim1), wave1(lim2) + + +c*****make sure that the element whose abundance is to be fit has +c a representative line of the blend + ifind = 0 + do j=lim1,lim2 + if (atom1(j) .lt. 100.) then + if (iatom .eq. int(atom1(j))) then + ifind = 1 + exit + endif + else + call sunder (atom1(j),ia,ib) + if (iatom.eq.ia .or. iatom.eq.ib) then + ifind = 1 + exit + endif + endif + enddo + if (ifind .eq. 0) then + do j=lim1,lim2 + abundout(j) = 999.99 + enddo + write (nf1out,1002) + lim1line = lim2line + 1 + if (lim1line .le. nlines+nstrong) cycle + endif + + +c*****do the syntheses, forcing each abundance to predict the +c feature equivalent width; a limit of 30 iterations is imposed +c arbitrarily + ncurve = 1 + start = wave1(lim1) - delwave + sstop = wave1(lim2) + delwave + delta = wave1(lim2) - wave1(lim1) + delwave + oldstart = start + oldstop = sstop + oldstep = step + olddelta = delta + rwlgobs = dlog10(width(lim1)/wave1(lim1)) + gf1(ncurve) = 1. + do k=1,30 + call synspec + call total + error = (w(ncurve)-width(lim1))/width(lim1) + ratio = width(lim1)/w(ncurve) + ncurve = ncurve + 1 + + +c*****here we go for another iteration + if (dabs(error) .ge. 0.0075) then + rwlcomp = dlog10(w(ncurve-1)/wave1(lim1)) + if (rwlcomp.lt.-5.2 .and. rwlgobs.lt.-5.2) then + ratio = ratio + elseif (rwlcomp.ge.-5.2 .and. rwlgobs.ge.-5.2) then + ratio = ratio**2.0 + else + ratio = ratio**1.5 + endif + gf1(ncurve) = gf1(ncurve-1)*ratio + do j=lim1,lim2 + if (atom1(j) .gt. 100.) then + call sunder (atom1(j),ia,ib) + if (ia.eq.iatom .or. ib.eq.iatom) then + do i=1,ntau + kapnu0(j,i) = kapnu0(j,i)*ratio + enddo + endif + elseif (int(atom1(j)) .eq. iatom) then + do i=1,ntau + kapnu0(j,i) = kapnu0(j,i)*ratio + enddo + endif + enddo + if (k .eq. 20) then + write (*,1008) + stop + endif + else + exit + endif + enddo + + +c*****here we do the final calculation when the predicted and observed are close + gf1(ncurve) = gf1(ncurve-1)*ratio + do j=lim1,lim2 + if (atom1(j) .gt. 100.) then + call sunder (atom1(j),ia,ib) + if (ia.eq.iatom .or. ib.eq.iatom) then + do i=1,ntau + kapnu0(j,i) = kapnu0(j,i)*ratio + enddo + endif + elseif (int(atom1(j)) .eq. iatom) then + do i=1,ntau + kapnu0(j,i) = kapnu0(j,i)*ratio + enddo + endif + enddo + call synspec + call total + widout(lim1) = w(ncurve) + diff = dlog10(gf1(ncurve)) + abundout(lim1) = dlog10(xabund(iatom)) + 12.0 + diff + if (ncurve .ne. 1) then + write (nf1out,1001) ncurve + endif + + +c*****here is where some auxiliary things like mean depth are computed + if (lim1.eq.lim2 .and. linprintopt.ge.3) then + wave = wave1(lim1) + call taukap + call cdcalc(2) + first = 0.4343*cd(1) + d(1) = rinteg(xref,cd,dummy1,ntau,first) + do i=1,ntau + dummy1(i) = xref(i)*cd(i) + enddo + first = 0. + cdmean = rinteg(xref,dummy1,dummy2,ntau,first)/ + . rinteg(xref,cd,dummy2,ntau,first) + do i=1,ntau + if (cdmean .lt. cd(i)) exit + enddo + write (nf1out,1005) lim1, cdmean, i, xref(i) + do i=1,ntau + if (taunu(i)+taulam(i) .ge. 1.) exit + enddo + write (nf1out,1006) lim1, i, dlog10(tauref(i)), + . dlog10(taulam(i)), dlog10(taunu(i)) + endif + + +c*****assign the abundance to the strongest line of the blend that +c contains cogatom; put 999.99's as the abundances of all but +c this line; go back for another blended feature + if (lim2 .gt. lim1) then + abunblend = abundout(lim1) + widblend = widout(lim1) + strongest = 0. + linstrongest = 0 + do j=lim1,lim2 + abundout(j) = 999.99 + enddo + do j=lim1,lim2 + if (atom1(j) .lt. 100.) then + if (dint(atom1(j)) .eq. cogatom) then + if (kapnu0(j,jtau5) .gt. strongest) then + strongest = kapnu0(j,jtau5) + linstrongest = j + endif + endif + else + call sunder (atom1(j),ia,ib) + if (dble(ia).eq.cogatom .or. dble(ib).eq.cogatom) then + if (kapnu0(j,jtau5) .gt. strongest) then + strongest = kapnu0(j,jtau5) + linstrongest = j + endif + endif + endif + enddo + abundout(linstrongest) = abunblend + widout(linstrongest) = widblend + endif + lim1line = lim2line + 1 + if (lim1line .le. nlines+nstrong) cycle + enddo + + +c*****do abundance statistics; print out a summary of the abundances + lim1obs = 1 + lim2obs = nlines+nstrong + call stats + rewind nf2out + call lineinfo (3) + + +c*****here a plot may be made on the terminal (and paper) if there +c are enough lines; then the user will be prompted on some +c options concerning what is seen on the plot + if (plotopt .ne. 0) then + call pltabun + if (choice.eq.'v' .or. choice.eq.'m') go to 100 + endif + + +c*****now the option will be to redo the molecular equilibrium and redo +c the last species, at the user's option. + if (neq .ne. 0) then + do n=1,neq + if (iatom .eq. iorder(n)) then + write (array,1004) + ikount = min0(nlines+11,maxline) + nchars = 70 +35 call getasci (nchars,ikount) + choice = chinfo(1:1) + if (choice.eq.'y' .or. nchars.le.0) then + xabund(iatom) = 10.**(average-12.) + call eqlib + call nearly (1) + lim1line = 0 + lim2line = 0 + rewind nf2out + go to 30 + elseif (choice .eq. 'n') then + call finish (0) + else + go to 35 + endif + endif + enddo + endif + + +c*****exit the program + call finish (0) + + +c*****format statements +1001 format (' This fit required ',i2,' iterations'/) +1002 format ('WARNING: NO ELEMENT LINE TO VARY IN BLEND') +1004 format ('SPECIES USES MOLECULAR EQUILIBRIUM!', + . ' REDO WITH NEW ABUNDANCE ([y]/n)? ') +1005 format (/'LINE ', i5, ':', + . ' weighted mean line contribution function C_d =', + . f6.2/ ' which occurs near level ', i3, + . ' with log tauref = ', f6.2) +1006 format (/'LINE ', i5, ':', + . ' tau(total) is greater than 1 at level',i3/ + . ' logs of tauref, taulam, taunu =', 3f6.2) +1007 format (/'VARYING THIS ELEMENT: ', i8/ + . 'USING THE LINE GROUP IN THE RANGE: ', 2f10.3) +1008 format (' MAX OF 30 ITERATIONS REACHED; I QUIT!') + + + end + + + diff --git a/Bmolec.f b/Bmolec.f new file mode 100755 index 0000000..6a4cf81 --- /dev/null +++ b/Bmolec.f @@ -0,0 +1,226 @@ + + block data molec +c****************************************************************************** +c This routine contains the default list of molecules and ions used in the +c equilibrium calculations. This list includes species needed for +c continuous opacity and damping calculations in addition to the ions and +c molecules that have an affect of the partial pressures of the following: +c H, He, C, N, O, Mg, Al, Si, P, S, Cl, Ca, Ti, V, Cr, and Fe. The +c molecules in this list were selected based on predicted partial pressures +c for T > 3000 K. The cutoff was 1e-7 percent of the total gas pressure. +c The user is encouraged to check the completeness of this list for the +c physical conditions under consideration. +c +c This routine also contains the molecular equilibrium constant data for +c the most common diatomic and triatomic molecules. The equilibrium +c constants were calculated from the parital pressures in the Phoenix +c (NextGen) equation of state table on June 27, 2005. The data below are +c the coefficients for polynomial fits to the constants and span the range +c 1500 < T < 10000 K. The format is: molecule id, Do, coef(1:5) +c The constants are reconstructed by a polynomial expansion: +c log10(Kp) = sum{i=1:5}{coef(i)*log10(theta)**(i-1)} - Do*theta +c****************************************************************************** + implicit real*8 (a-h,o-z) + include 'Mol.com' + + +c*****Here is the default small list of ions and molecules; +c there are 30 of them +c P(H) = p(H) + p(H+) + 2p(H_2) + p(CH) + p(NH) + p(OH) + p(MgH) + 2p(H_2O) + p(HF) +c P(C) = p(C) + p(C+) + p(CH) + p(C_2) + p(CN) + p(CO) + p(CO_2) +c P(N) = p(N) + p(N+) + p(NH) + p(CN) + 2p(N_2) + p(NO) +c P(O) = p(O) + p(O+) + p(OH) + p(CO) + p(ON) + 2p(O_2) + 2p(CO_2) +c P(F) = p(F) + p(F+) + p(HF) +c P(Mg) = p(Mg) + p(Mg+) + p(MgH) + p(MgO) +c P(Al) = p(Al) + p(Al+) + p(AlH) + p(AlOH) +c P(Si) = p(Si) + p(Si+) + p(SiH) + p(SiO) +c P(Ti) = p(Ti) + p(Ti+) + p(TiH) + p(TiO) +c p(Fe) = p(Fe) + p(Fe+) + p(FeH) + p(FeO) + data (smallmollist(i),i=1,110)/ + . 1.1, 2.1, 6.1, 7.1, 8.1, 9.1, + . 12.1, 13.1, 14.1, 22.1, 26.1, 101.0, + . 106.0, 107.0, 108.0, 109.0, 112.0, 113.0, + . 114.0, 126.0, 606.0, 607.0, 608.0, 707.0, + . 708.0, 808.0, 10108.0, 60808.0, 812.0, 822.0, + . 80*0.0/ +c data (smallmollist(i),i=1,110)/ +c . 1.1, 6.1, 7.1, 8.1, 101.0, 106.0, +c . 107.0, 108.0, 606.0, 607.0, 608.0, 707.0, +c . 708.0, 808.0, 10108.0, 60808.0, +c . 94*0.0/ + + +c*****Here is the default large list of ions and molecules; +c there are 59 of them +c P(H) = p(H) + p(H+) + 2p(H_2) + p(CH) + p(NH) + p(OH) + p(MgH) + p(AlH) +c + p(SiH) + p(PH) + p(SH) + p(ClH) + p(CaH) + p(CrH) +c + p(FeH) + 2p(CH_2) + 2p(NH_2) + 2p(H_2O) + 2p(PH_2) +c + 2p(SH_2) + p(HCO) + p(MgOH) + p(AlOH) + p(CaOH) + p(HF) +c P(He) = p(He) + p(He+) +c P(C) = p(C) + p(C+) + p(CO) + p(CH) + 2p(CH_2) + p(HCO) + p(CN) +c + p(CS) + p(CO_2) +c P(N) = p(N) + p(N+) + 2p(N_2) + p(NH) + p(NH_2) + p(CN) + p(NO) +c + p(SiO) + p(PN) + p(SN) +c P(O) = p(O) + p(O+) + p(CO) + p(OH) + p(H_2O) + p(HCO) + p(MgOH) +c + p(AlOH) + p(CaOH) + 2p(CO_2) + p(NO) + 2p(O_2) +c + p(MgO) + p(SiO) + p(PO) + p(SO) + p(TiO) + p(VO) + p(FeO) +c P(F) = p(F) + p(F+) + p(HF) +c P(Mg) = p(Mg) + p(Mg+) + p(MgH) + p(MGOH) + p(MgO) +c P(Al) = p(Al) + p(Al+) + p(AlH) + p(AlOH) +c P(Si) = p(Si) + p(Si+) + p(SiH) + p(SiO) + p(SiS) +c P(P) = p(P) + p(P+) + p(PH) + p(PH_2) + p(PN) + p(PO) +c P(S) = p(S) + p(S+) + p(SH) + p(SH_2) + p(SC) + p(SN) + P(SO) + p(SiS) +c P(Cl) = p(Cl) + p(Cl+) + p(ClH) +c P(Ca) = p(Ca) + P(Ca+) + p(CaH) + p(CaO) +c P(Ti) = p(Ti) + p(Ti+) + p(TiH) + p(TiO) +c P(V) = p(V) + p(V+) + p(VO) +c P(Cr) = p(Cr) + p(Cr+) + p(CrH) +c p(Fe) = p(Fe) + p(Fe+) + p(FeH) + p(FeO) + data (largemollist(i),i=1,110)/ + . 1.1, 2.1, 6.1, 7.1, 8.1, 9.1, + . 12.1, 13.1, 14.1, 15.1, 16.1, 17.1, + . 20.1, 22.1, 23.1, 24.1, 26.1, + . 101.0, 106.0, 107.0, 108.0, 109.0, 112.0, + . 113.0, 114.0, 115.0, 116.0, 117.0, 120.0, + . 124.0, 126.0, 10106.0, 10107.0, 10108.0, 10115.0, + . 10116.0, 10608.0, 10812.0, 10813.0, 10820.0, 606.0, + . 607.0, 608.0, 616.0, 60808.0, 707.0, 708.0, + . 714.0, 715.0, 716.0, 808.0, 812.0, 814.0, + . 815.0, 816.0, 822.0, 823.0, 826.0, 1416.0, + . 51*0.0/ + +c*****Here are polynomial coefficients to match the partition functions +c for H_2O and CO_2 that are found at the HITRAN site: +c https://hitran.org/data/Q/q1.txt and https://hitran.org/data/Q/q7.txt +c These are expressed as simple polynomials or the form: +c u(T) = c(1)*T^0 + c(2)*T^1 + c(3)*T^2 + c(4)*T^3 + c(5)*T^4 + data (h2ocoeff(i),i=1,5)/ 2.01999d+00, 1.36468d-03, + . -3.70508d-07, 6.74255d-11, -4.94970d-15/ + data (co2coeff(i),i=1,5)/ 2.00071d+00, 1.79927d-03, + . -4.06396d-07, 6.00864d-11, -3.84741d-15/ + + + data ((datmol(i,j),i=1,7),j=1,10)/ + 1 101.0, 4.4781,12.1174, -1.0476, 1.6851, -5.5831, 4.0060, + 2 106.0, 3.4650,11.5335, -0.5211, -0.7475, 0.1494, -0.1967, + 3 107.0, 3.4700,11.4657, -0.7265, -0.6439, 0.0004, 0.1269, + 4 108.0, 4.3920,11.8018, -0.8525, -0.5525, 0.1625, -0.1935, + 5 109.0, 5.8690,12.2897, -0.9174, -0.6416, 0.1616, -0.1222, + 6 111.0, 1.8800,10.7189, -0.8053, 4.1674,-12.8321, 10.8590, + 7 112.0, 1.3400,10.2878, -0.3455, 0.1677, -3.8628, 4.7348, + 8 113.0, 3.0600,11.4876, -0.4024, -0.4809, -1.6283, 2.5415, + 9 114.0, 3.0600,11.2586, -0.6758, -0.5870, 0.0669, 0.3139, + * 115.0, 3.3000,11.3387, -0.2112, 0.5964, 0.2027, 0.2323/ + data ((datmol(i,j),i=1,7),j=11,20)/ + 1 116.0, 3.5500,11.4380, -0.7731, -0.4785, 0.1716, -0.2326, + 2 117.0, 4.4336,11.9042, -0.8250, -0.6309, 0.1545, -0.1999, + 3 120.0, 1.7000,10.1987, -0.9426, 1.8085, -4.6629, 3.4971, + 4 124.0, 2.1700,10.4501, -3.4047, -2.5032, 1.6933, -2.1073, + 5 125.0, 1.3100, 9.7219, -3.9379, -3.4116, 0.6378, -3.0173, + 6 126.0, 2.4100,12.1214, 0.9531, 2.3351, -0.2231, 3.0718, + 7 128.0, 2.7000,11.9592, -0.9476, -0.4685, 0.8228, 0.2487, + 8 129.0, 2.8400,11.3419, -1.3372, -0.6389, 1.5957, -0.4408, + 9 10106.0, 7.9400,23.8688, -1.7944, 4.4565,-10.8615, 6.6375, + * 10107.0, 7.4400,23.7463, -1.7687, 4.2349,-12.2375, 8.6009/ + data ((datmol(i,j),i=1,7),j=21,30)/ + 1 10108.0, 9.6221,24.6063, -1.8370, 3.9590,-10.9331, 7.4896, + 2 10115.0, 6.4895,23.0957, -2.0802, 5.0222,-10.7703, 5.8343, + 3 10116.0, 7.5946,23.8619, -1.7009, 4.4792,-11.4475, 7.2724, + 4 10508.0,12.7425,25.2365, -1.2673, 5.1472,-12.0672, 7.6325, + 5 10607.0,13.2363,25.1400, -1.3548, 5.4650,-12.6262, 7.5607, + 6 10608.0,11.8560,24.6494, -1.6665, 4.8174,-10.9079, 6.7311, + 7 10708.0, 8.6140,24.4465, -1.3261, -0.5924, 0.0156, -0.7950, + 8 10811.0, 8.0150,23.3475, -1.4238, 7.1752,-17.8186, 13.4471, + 9 10812.0, 8.0735,23.3316, -1.3691, 6.1267,-15.3175, 11.1568, + * 10813.0,10.1252,25.2641, -1.4342, 5.1091,-13.2682, 9.2414/ + data ((datmol(i,j),i=1,7),j=31,40)/ + 1 10819.0, 8.1892,23.3235, -1.9306, 8.6260,-17.6081, 10.5153, + 2 10820.0, 8.7035,23.2006, -1.9644, 8.3448,-17.4669, 10.8898, + 3 10856.0, 9.0621,23.3508, -2.9133, 7.9864,-14.7824, 10.4060, + 4 508.0, 8.2800,12.6247, -0.6958, -0.4147, 0.2800, -0.4535, + 5 606.0, 6.2100,12.4677, -0.4434, -0.0516, -0.1304, -0.0555, + 6 607.0, 7.7600,12.4439, -0.4823, -0.4724, -1.1721, 1.3124, + 7 608.0,11.0920,13.2412, -0.8502, -0.0724, -0.2098, -0.2096, + 8 614.0, 4.6400,11.8943, -1.2037, 2.5280, -5.4728, 3.5183, + 9 615.0, 6.8950,13.0550, 1.1581, 2.9371, 0.6616, 1.9298, + * 616.0, 7.3550,12.8508, -0.7689, -0.4254, 1.9738, -2.7599/ + data ((datmol(i,j),i=1,7),j=41,50)/ + 1 60606.0,13.8610,26.3157, -1.9852, 4.7933,-10.1191, 6.4350, + 2 60614.0,13.1966,25.7482, -0.8673, 6.1588,-14.8609, 10.8245, + 3 60717.0,12.2076,25.3546, -0.9498, 6.1809,-13.9272, 8.7748, + 4 60808.0,16.5382,26.9665, -1.5802, 5.2319,-12.8507, 7.2799, + 5 61616.0,11.9993,26.2469, -1.0515, 6.3688,-12.9191, 7.5525, + 6 707.0, 9.7594,12.8868, -0.8861, 0.2644, -1.4001, 0.9645, + 7 708.0, 6.4968,11.9347, -0.7631, 0.0848, -0.8149, 0.4636, + 8 709.0, 2.8190,11.4441, -1.2536, -0.9028, -0.5407, -0.8453, + 9 714.0, 4.5100,11.9190, -0.7171, -0.7889, -1.6147, 1.2567, + * 715.0, 7.1110,12.1020, -1.2837, 0.4612, -1.4609, 0.1464/ + data ((datmol(i,j),i=1,7),j=51,60)/ + 1 716.0, 4.8000,11.9264, -1.0597, 2.7095, -6.0355, 3.6858, + 2 70708.0,11.4400,25.8228, -1.8022, 5.4142,-13.7572, 7.8651, + 3 70808.0, 9.6210,25.4890, -2.1013, 4.7855,-12.0992, 6.7146, + 4 808.0, 5.1156,12.8763, -0.4923, -0.5474, 0.2097, -0.3337, + 5 811.0, 3.0790,11.1443, 0.1006, 1.3407, -0.8726, 1.1604, + 6 812.0, 3.5300,10.7965, -0.4336, 4.5543, -9.6555, 6.8587, + 7 813.0, 5.2700,12.2111, -0.5018, -0.0903, -1.3613, 1.7974, + 8 814.0, 8.2600,12.9276, -0.7698, -0.5315, 2.1774, -2.8482, + 9 815.0, 6.0710,11.9149, -1.0730, 0.4169, -0.8595, -0.0207, + * 816.0, 5.3590,12.3424, -0.8964, 2.5742, -6.2111, 3.7515/ + data ((datmol(i,j),i=1,7),j=61,70)/ + 1 817.0, 2.7450,11.8129, -1.0573, 2.2239, -5.7356, 3.2844, + 2 820.0, 4.5310,11.7806, 1.6875, 3.1813, -5.1106, 4.8826, + 3 821.0, 6.9600,12.5239, -1.2329, 1.5239, -1.9903, 0.4735, + 4 822.0, 6.8700,12.3189, -1.8737, 4.2408, -7.4936, 3.3890, + 5 823.0, 6.4100,12.8103, -0.5642, -0.5910, -2.5261, 3.9417, + 6 826.0, 4.2000,12.5333, -1.0582, 1.0158, -1.5253, 0.7221, + 7 839.0, 7.2900,12.4455, -1.3319, 1.0692, 0.0949, -2.0131, + 8 840.0, 7.8500,12.4688, -1.0832, 0.0935, -0.2133, 0.5480, + 9 856.0, 5.4410,11.5981, -2.2831, -1.3418, 4.2093, -4.0635, + * 857.0, 8.2300,12.1926, 0.1654, -0.8084, -1.0001, 1.1994/ + data ((datmol(i,j),i=1,7),j=71,80)/ + 1 80814.0,13.0355,26.5705, -1.1245, 6.0979,-12.6131, 7.8414, + 2 80816.0,11.1405,25.9338, -1.3799, 5.5465,-11.7480, 7.0670, + 3 80822.0,13.2915,25.9435, -2.1804, 7.1450,-13.0296, 7.9278, + 4 80839.0,15.2000,25.8616, -1.4066, -0.5348, 2.4526, -1.0943, + 5 80840.0,14.4650,25.6438, -2.2794, 6.4569,-11.9176, 7.3456, + 6 80857.0,21.1510,31.0796, 10.7083, 13.0309, 9.1626, 10.4251, + 7 81313.0,10.9653,24.8867, -0.8364, 6.6875,-15.6083, 11.6178, + 8 909.0, 1.5920,12.6197, -0.4363, -0.5840, 0.4907, -0.6261, + 9 911.0, 4.9530,11.4755, -0.4941, 0.6264, -1.1793, 0.5988, + * 912.0, 3.2000, 9.4953, -4.2045, -4.0612, -3.2308, -3.0520/ + data ((datmol(i,j),i=1,7),j=81,90)/ + 1 913.0, 6.8900,12.2405, -0.4662, -0.3499, -0.6568, 1.0680, + 2 914.0, 5.5700,12.0156, -0.5029, -0.1059, 0.3137, 0.0030, + 3 916.0, 3.3380,11.6730, -0.9068, -0.8140, -0.0380, -0.8173, + 4 917.0, 2.6160,12.2059, 0.4295, -3.9612, 6.8690, -4.3459, + 5 1111.0, 0.7300,10.2142, -0.5498, 1.0576, -2.8013, 1.4272, + 6 1117.0, 4.2300,11.0824, -0.4354, 1.4015, -6.7895, 7.3949, + 7 1216.0, 2.4000,11.3114, -0.5242, 0.5655, -3.1955, 3.8100, + 8 1217.0, 2.7010,10.2253, -1.7707, -1.1903, -1.3832, -0.9560, + 9 1313.0, 1.5500,11.3645, -0.1608, 0.1321, -3.2955, 4.3483, + * 1316.0, 3.8400,11.9118, -0.4891, -0.0108, -1.2859, 1.7739/ + data ((datmol(i,j),i=1,7),j=91,100)/ + 1 1317.0, 5.1200,11.8263, -0.3140, -1.0244, 0.8982, -0.1197, + 2 1414.0, 3.2100,12.1806, -0.6731, -0.1732, 0.0349, 0.4326, + 3 1416.0, 6.4200,12.6372, -0.7285, -0.0244, 0.8566, -1.1574, + 4 1417.0, 4.0020,11.7232, -0.2951, 0.1824, 0.8534, -0.3405, + 5 1515.0, 5.0330,12.2546, -1.1717, 1.4643, -1.9459, 0.8396, + 6 1516.0, 5.6370,12.5482, 1.4333, 3.0823, 0.9032, 2.0434, + 7 1616.0, 4.3693,12.3238, -0.9114, 2.7995, -6.1180, 3.5118, + 8 1617.0, 2.7490,11.8411, -0.0001, 0.5709, 0.7753, 0.0580, + 9 1622.0, 4.7500,11.6639, -1.3994, 1.3016, -1.2659, 0.5035, + * 1717.0, 2.4760,12.2664, -0.5351, -0.6211, 0.7092, -0.7675/ + data ((datmol(i,j),i=1,7),j=101,110)/ + 1 2016.0, 3.4600,10.8548, 0.2371, 3.1884, -8.1647, 5.1342, + 2 2616.0, 3.1000,11.3327, -1.5519, 0.5150, -1.5570, -0.0107, + 3 56*0.0/ + + end + + + + + + + + diff --git a/Boxit.f b/Boxit.f new file mode 100755 index 0000000..f87ea9a --- /dev/null +++ b/Boxit.f @@ -0,0 +1,59 @@ + + subroutine boxit +c****************************************************************************** +c This subroutine figures out the point numbers of the wavelength +c boundaries for synthetic spectrum plots +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + include 'Linex.com' + include 'Equivs.com' + + +c*****if only a synthetic spectrum is being plotted, use beginning and +c end points of the synthetic spectrum instead of those of the observed +c spectrum + if (plotopt .lt. 2) then + do i=1,kount + if (xlo .le. xsyn(i)) then + lim1obs = i + go to 10 + endif + enddo + lim1obs = kount +10 do i=lim1obs,kount + if (xhi .lt. xsyn(i)) then + lim2obs = i -1 + return + endif + enddo + lim2obs = kount + return + + +c*****and here is the same logic when an observed spectrum exists + else + do i=1,lount + if (xlo .le. xobs(i)) then + lim1obs = i + go to 20 + endif + enddo + lim1obs = lount +20 do i=lim1obs,lount + if (xhi .lt. xobs(i)) then + lim2obs = i -1 + return + endif + enddo + lim2obs = lount + return + endif + + end + + + + diff --git a/Calmod.f b/Calmod.f new file mode 100755 index 0000000..3938bef --- /dev/null +++ b/Calmod.f @@ -0,0 +1,49 @@ + + subroutine calmod +c****************************************************************************** +c this program re-calculates BEGN models on a tau5000 scale. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + + +c*****open the files for standard output and the re-calculated model + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'RE-CALCULATED MODEL OUTPUT' + nchars = 26 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + + +c*****open and read the model atmosphere + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****do the tau scale conversion + call opacit(2,wavref) + write (nf2out,1001) wavref,(taulam(i),t(i),pgas(i), + . ne(i),kaplam(i),i=1,ntau) + return + + +c*****format statements +1001 format ('output model for wavelength = ',f5.0/ + . (1pe11.4,0pf7.0,1p3e11.4)) + + + end diff --git a/Cdcalc.f b/Cdcalc.f new file mode 100755 index 0000000..825785c --- /dev/null +++ b/Cdcalc.f @@ -0,0 +1,52 @@ + + subroutine cdcalc (number) +c****************************************************************************** +c this routine calculates continuum and line+continuum +c contribution functions +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + +c*****continuum "contribution curve" calculation + if (number .eq. 1) then + do i=1,ntau + scont(i) = ((1.19089d+25/wave**2)*1.0d+10)/(wave**3* + . (dexp(1.43879d+08/(wave*t(i)))-1.0d+00)) + if (fluxintopt .eq. 1) then + cd(i) = kaplam(i)*tauref(i)*scont(i)* + . dexp(-taulam(i))/(0.4343*kapref(i)) + else + cd(i) = 2.0*kaplam(i)*tauref(i)*scont(i)* + . expint(taulam(i),2)/(0.4343*kapref(i)) + endif + enddo + +c*****line plus continuum "contribution curve" calculation + else + do i=1,ntau + sline(i) = scont(i) + if (fluxintopt .eq. 1) then + if (taulam(i)+taunu(i) .le. 50.) then + exptau = dexp(-taulam(i)-taunu(i)) + else + exptau = 0. + endif + cd(i) = tauref(i)*kaplam(i)/(0.4343*flux* + . kapref(i))*(scont(i)*dexp(-taulam(i)) - + . (1.0+kapnu(i)/kaplam(i))*sline(i)*exptau) + else + cd(i) = 2.0*tauref(i)*kaplam(i)/(0.4343*flux* + . kapref(i))*(scont(i)*expint(taulam(i),2) - + . (1.0+kapnu(i)/kaplam(i))*sline(i)* + . expint(taulam(i)+taunu(i),2)) + endif + enddo + endif + +c*****normal exit + return + + + end diff --git a/Chabund.f b/Chabund.f new file mode 100755 index 0000000..49f279c --- /dev/null +++ b/Chabund.f @@ -0,0 +1,253 @@ + + subroutine chabund +c***************************************************************************** +c this routine changes the input abundances according to the users request +c and the re-runs the synthesis with the new abundances OVERWRITING the +c original output files, but using the same model, linelist, etc +c***************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Factor.com' + include 'Mol.com' + include 'Pstuff.com' + include 'Multistar.com' + real*8 xnum + real*4 shortnum + character choice2 + + +c*****set the local temporary parameters to what they were for the last synth + newnumiso = numiso + newnumisosyn = numisosyn + newnumpecatom = numpecatom + newnumatomsyn = numatomsyn + if (newnumatomsyn .eq. 0) newnumatomsyn = 1 + do i=3,95 + newpec(i) = pec(i) + do j=1,newnumatomsyn + newpecabund(i,j) = pecabund(i,j) + enddo + enddo + do i=1,newnumiso + if(newnumiso .ge. 1) then + newisotope(i)=isotope(i) + do j=1,newnumisosyn + newisoabund(i,j)=isoabund(i,j) + enddo + endif + enddo + if (newnumatomsyn .le. 0) newnumatomsyn = 1 + + +c*****SPECIAL CASE +c for the "binary" driver, present a limited set of options; only +c the abundances of the elements already chosen for variation in +c the parameter file can be altered +11 if (control .eq. 'binary ') then + istat = ivcleof(4,1) + if (syncount .eq. 1) then + array = 'Abundance Alterations for the PRIMARY STAR: ' + else + array = 'Abundance Alterations for the SECONDARY STAR: ' + endif + istat = ivwrite(5,5,array,46) + array = 'Atom Abundance (relative to initial model)' + istat = ivwrite(6,1,array,49) + line = 6 + do i=3,95 + if(newpec(i) .eq. 1) then + line = line + 1 + write (array,1001) i,(newpecabund(i,j),j=1,newnumatomsyn) + istat = ivwrite(line,1,array,57) + endif + enddo + array = 'Options: c = change abundances ' + istat = ivwrite(line+1,1,array,41) + array = ' x = exit no changes q = rerun synth' + istat = ivwrite(line+2,1,array,47) + array = 'What is your choice? ' + nchars = 21 + call getasci (nchars,line+4) + choice = chinfo(1:1) + if (choice.ne.'c' .and. choice.ne.'x' .and. + . choice.ne.'q') go to 11 + endif + + +c*****for the "synth" driver, present the user with the current abundance +c alterations, and the options; find out what is desired +1 if (control .eq. 'synth' .or. + . control .eq. 'isotop' .or. + . control .eq. 'synpop') then + line = 4 + istat = ivcleof(line,1) + write (array,1006) + line = line + 1 + istat = ivwrite(6,1,array,72) + line = line + 1 + do i=3,95 + if(newpec(i) .eq. 1) then + line = line + 1 + write (array,1001) i,(newpecabund(i,j),j=1,newnumatomsyn) + istat = ivwrite(line,1,array,57) + endif + enddo + if (newnumiso .gt. 0) then + do i=1,newnumiso + line = line + 1 + write (array,1002) i, newisotope(i), + . (newisoabund(i,j),j=1,newnumisosyn) + istat = ivwrite(line,1,array,68) + enddo + endif + write (array,1007) + istat = ivwrite(line+1,1,array,61) + write (array,1008) + istat = ivwrite(line+2,1,array,72) + array = 'What is your choice? ' + nchars = 21 + call getasci (nchars,line+3) + choice = chinfo(1:1) + if (choice.ne.'c' .and. choice.ne.'i' .and. + . choice.ne.'n' .and. choice.ne.'x' .and. + . choice.ne.'q') go to 1 + endif + + +c*****for "synth", change elemental abundances + if (choice .eq. 'c') then +20 istat = ivcleof(line+1,1) + array = 'Which element to change? ' + nchars = 25 + call getnum (nchars,line+1,xnum,shortnum) + if (xnum.lt.2.0 .or. xnum.gt.95.) go to 20 + j = nint(xnum) + if (newpec(j) .eq. 1) then +25 array = 'n = new abundances, or z = zero offsets? ' + nchars = 41 + call getasci (nchars,line+2) + choice2 = chinfo(1:1) + if (choice2 .eq. 'z') then + newpec(j) = 0 + do i=1,5 + newpecabund(j,i) = 0.0 + enddo + newnumpecatom = newnumpecatom - 1 + elseif (choice2 .eq. 'n') then + write (array,1004) + istat = ivwrite(line+3,1,array,40) + read (*,*) (newpecabund(j,i),i=1,newnumatomsyn) + else + go to 25 + endif + else + newpec(j) = 1 + write (array,1004) + istat = ivwrite(line+2,1,array,40) + read (*,*) (newpecabund(j,i),i=1,newnumatomsyn) + newnumpecatom = newnumpecatom + 1 + endif + + +c*****for "synth", change isotopic factors + elseif (choice .eq. 'i') then + istat = ivcleof(line+1,1) + array = 'Options: c = change an isotopic factor' + istat = ivwrite(line+1,1,array,49) + array = ' n = enter a new isotope' + istat = ivwrite(line+2,1,array,48) +30 array = 'What is your choice? ' + nchars = 22 + call getasci (nchars,line+3) + choice2 = chinfo(1:1) + if (choice2 .eq. 'c') then +35 istat = ivcleof(line+1,1) + array = 'Which isotope number from the list? ' + nchars = 36 + call getnum (nchars,line+1,xnum,shortnum) + j = nint(xnum) + if (j.lt.1 .or. j.gt.newnumiso) go to 35 + istat = ivcleof(line+2,1) + array = 'What are the new division factors? ' + istat = ivwrite(line+2,1,array,35) + read (*,*) (newisoabund(j,i),i=1,newnumisosyn) + elseif (choice2 .eq. 'n') then + newnumiso = newnumiso + 1 + istat = ivcleof(line+1,1) + array = 'What is the new isotope designation? ' + nchars = 37 + call getnum (nchars,line+4,xnum,shortnum) + newisotope(newnumiso) = xnum + array = 'What are its division factors? ' + istat = ivwrite(line+2,1,array,31) + read (*,*) (newisoabund(newnumiso,i),i=1,newnumisosyn) + else + go to 30 + endif + + +c*****for "synth", change the number of syntheses + elseif (choice .eq. 'n') then +55 array = 'How many synths? ' + nchars = 17 + call getnum (nchars,line+5,xnum,shortnum) + if (xnum .gt. 5.) go to 55 + newnumatomsyn = nint(xnum) + go to 1 + + +c*****for "synth", exit the routine without changing anything + elseif (choice .eq. 'x') then + return + + +c*****for "synth", make the proposed alterations permanent; then +c return to the calling routine, which allegedly will +c redo the syntheses. + elseif (choice .eq. 'q') then + numiso = newnumiso + numisosyn = newnumisosyn + numpecatom = newnumpecatom + numatomsyn = newnumatomsyn + do i=3,95 + pec(i) = newpec(i) + do j=1,numatomsyn + pecabund(i,j) = newpecabund(i,j) + enddo + enddo + do i=1,numiso + if(numiso .ge. 1) then + isotope(i) = newisotope(i) + do j=1,numisosyn + isoabund(i,j)=newisoabund(i,j) + enddo + endif + enddo + return + endif + + +c*****loop back and print out the main menu again + if (control .eq. 'synth ') then + go to 1 + else + go to 11 + endif + + +c*****format statements +1001 format (i3, 4x, 5(f8.3, 2x)) +1002 format (i2, 2x, f10.5, 5(3x, f8.3)) +1004 format ('Enter the new offsets on the line below:') +1006 format ('element, abundance offsets OR ', + . 'isotope number, isotope name, factors') +1007 format ('Options: c = change abundance ', + . 'i = change isotopic ratio') +1008 format(' n = change # syntheses q = rerun ', + . 'syntheses x = exit') + + end + + + diff --git a/Cog.f b/Cog.f new file mode 100755 index 0000000..b7039d6 --- /dev/null +++ b/Cog.f @@ -0,0 +1,106 @@ + + subroutine cog +c****************************************************************************** +c This routine produces sets of curves-of-growth +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + + +c*****examine the parameter file + call params + + +c*****open the files for standard output and summary curves-of-growth + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'SUMMARY C-O-G OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + + +c*****open and read the model atmosphere + array = 'THE MODEL ATMOSPHERE' + nchars = 20 +102 nfmodel = 30 + lscreen = lscreen + 2 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open and read the line list file; get ready for the line calculations + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + isynth = 1 +101 call inlines (1) + call eqlib + call nearly (1) + + +c*****define the range of lines (the whole list, in this case) + mode = 1 + call linlimit + if (lim1line .lt. 0) then + call finish (0) + return + endif + + +c*****do the curves of growth, making plots if desired + do lim1=lim1line,lim2line + lim2 = lim1 + call curve + call pltcog + if (choice .eq. 'm') then + close (unit=nfmodel) + close (unit=nflines) + rewind nf1out + rewind nf2out + rewind nf5out + array = 'THE NEW MODEL ATMOSPHERE' + nchars = 24 + fmodel = 'no_filename_given' + go to 102 + endif + if (choice .eq. 'v') go to 101 + array = 'DO ANOTHER CURVE-OF-GROWTH ([y]/n)? ' + nchars = 36 + lscreen = 16 + call getasci (nchars,lscreen) + choice = chinfo(1:1) + if (choice .eq. 'n') then + call finish (0) + return + endif + enddo + + +c****end the computations + call finish (0) + return + + + end + + diff --git a/Cogplot.f b/Cogplot.f new file mode 100755 index 0000000..ee2d5bf --- /dev/null +++ b/Cogplot.f @@ -0,0 +1,123 @@ + + subroutine cogplot +c****************************************************************************** +c This subroutine creates plots of curves-of-growth +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + real*4 gfplot(3000), rwplot(3000) + real*4 xfour, style(1) + character*4 ion + + +c*****dump the data into working arrays + do i=1,ncurve + gfplot(i) = gf1(i) + rwplot(i) = w(i) + enddo + + +c*****define the plot boundaries + ylo = real(nint(rwlow*10))/10. - 0.1 + yhi = real(nint(rwhigh*10))/10. + 0.1 + do i=1,ncurve + if (rwplot(i) .gt. rwlow) then + if (gfplot(i) .gt. 0) then + xlo = real(int(gfplot(i)*10))/10 + else + xlo = real(int(gfplot(i)*10))/10 - 0.1 + endif + go to 10 + endif + enddo +10 do i=1,ncurve + if (rwplot(i) .gt. rwhigh) then + if (gfplot(i) .gt. 0) then + xhi = real(int(gfplot(i)*10))/10 + 0.1 + else + xhi = real(int(gfplot(i)*10))/10 + endif + endif + enddo + + +c*****start the plot via some setup calls + call sm_limits (xlo,xhi,ylo,yhi) + smlxtic = 0.20 + smlytic = 0.20 + bigxtic = 1.0 + bigytic = 1.0 + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the curve-of-growth + call sm_expand (0.6) + call sm_lweight (1.4) + call defcolor (1) + call sm_box (0,0,0,0) + call sm_expand (0.85) + call sm_box (1,2,4,4) + array = 'log gf' + call sm_relocate (0.5*(xlo+xhi),ylo-0.10*(yhi-ylo)) + call sm_putlabel (5,array) + array = 'log (EW/lambda)' + call sm_relocate (xlo-0.06*(xhi-xlo),0.5*(yhi+ylo)) + call sm_angle (90.) + call sm_putlabel (5,array) + call sm_angle (0.) + call sm_ltype (1) + call sm_lweight (0.8) + call sm_grid (0,0) + call sm_ltype (0) + + +c*****plot the computed curve-of-growth points; exit normally + call sm_expand (1.05) + call defcolor (2) + style(1) = 240.7 + call sm_ptype (style,1) + call sm_points (gfplot,rwplot,ncurve) + call defcolor (1) + ich = idint(charge(lim1) + 0.1) + if (ich .eq. 1) then + ion = ' I ' + elseif (ich .eq. 2) then + ion = ' II ' + elseif (ich .eq. 3) then + ion = ' III' + endif + iatom = idint(atom1(lim1)) + write (array,1002) names(iatom),ion + call sm_expand (0.75) + call sm_relocate (xhi-0.20*(xhi-xlo),ylo+0.35*(yhi-ylo)) + call sm_putlabel (5,array) + call sm_relocate ((xhi+xlo)/2.0,yhi-0.03*(yhi-ylo)) + call sm_putlabel (5,moditle) + xfour = dlog10(xabund(iatom)) + 12.0 + write (array,1003) xfour + call sm_relocate (xhi-0.20*(xhi-xlo),ylo+0.27*(yhi-ylo)) + call sm_putlabel (5,array) + write (array,1005) wave1(lim1) + call sm_relocate (xhi-0.20*(xhi-xlo),ylo+0.19*(yhi-ylo)) + call sm_putlabel (5,array) + write (array,1004) e(lim1,1) + call sm_relocate (xhi-0.20*(xhi-xlo),ylo+0.11*(yhi-ylo)) + call sm_putlabel (5,array) + return + + +c*****format statements +1002 format (a2,a4) +1003 format ('log eps =',f7.3) +1004 format ('E.P. (eV) =',f7.3) +1005 format ('lambda (A) =',f11.3) + + end + + + + diff --git a/Cogsyn.f b/Cogsyn.f new file mode 100755 index 0000000..b16de64 --- /dev/null +++ b/Cogsyn.f @@ -0,0 +1,102 @@ + + subroutine cogsyn +c****************************************************************************** +c This program produces a curve-of-growth of a blended feature, +c altering only a specified species' abundance. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Factor.com' + include 'Mol.com' + include 'Pstuff.com' + + +c*****examine the parameter file + call params + + +c*****open the files for standard output and summary curves-of-growth + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'SUMMARY C-O-G OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + + +c*****open and read the model atmosphere + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open and read the line list file; get ready for the line calculations + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + call inlines (1) + call eqlib + call nearly (1) + + +c*****do the syntheses + isynth = 1 + isorun = 1 + ncurve = 0 + iatom =nint(cogatom) + pec(iatom) = 1 + numpecatom = 1 + pecabund(iatom,1) = 0. + mode = 3 +10 ncurve = ncurve + 1 + nlines = 0 + call synspec + call total + if (ncurve .eq. 1) then + wstart = 10.**(rwlow)*wave1(lim1) + wstop = 10.**(rwhigh)*wave1(lim1) + endif + molopt = 1 + linprintopt = 0 + if (w(ncurve) .gt. wstart) then + pecabund(iatom,1) = pecabund(iatom,1) - rwstep + go to 10 + endif + pecabund(iatom,1) = rwstep +20 ncurve = ncurve + 1 + nlines = 0 + call synspec + call total + molopt = 1 + linprintopt = 0 + if (w(ncurve) .lt. wstop) then + pecabund(iatom,1) = pecabund(iatom,1) + rwstep + go to 20 + endif + call pltcog + + +c*****finish + call finish (0) + end + + + + + + diff --git a/Correl.f b/Correl.f new file mode 100755 index 0000000..6742f52 --- /dev/null +++ b/Correl.f @@ -0,0 +1,140 @@ + + subroutine correl +c****************************************************************************** +c This routine cross-correlates arrays x and y using any part of the +c arrays, as long as there are enough data points in each array. +c The result is printed out in terms of the shift in the abscissa +c of the y array needed to align it with the x array. +c****************************************************************************** + + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + include 'Plotval.com' + real*4 xgood(100000), ygood(100000), zgood(100000) + real*8 spx(1000), spy(1000) + real*4 q + real*8 xinterp(21), yinterp(21) + + + wavemin = amax1(xsyn(1),xobs(1)) + wavemax = amin1(xsyn(kount),xobs(lount)) + wavecenter = (wavemax + wavemin)/2. + + +c*****find the array subscripts for the minimum and maximum +c wavelengths in the synthetic spectrum. + do i=1,kount + if (xsyn(i) .ge. wavemin) then + ilosyn = i + go to 5 + endif + enddo +5 do i=ilosyn,kount + if (xsyn(i) .gt. wavemax) then + ihisyn = i - 1 + go to 10 + endif + enddo + ihisyn = kount + + +c*****dump the synthetic spectrum wavelengths and fluxes into working arrays +10 itotsyn = ihisyn - ilosyn + 1 + do i=1, itotsyn + xgood(i) = xsyn(ilosyn-1+i) + ygood(i) = chunk(ilosyn-1+i,1) + enddo + + +c*****find the array subscript for the minimum wavelength in the +c observed spectrum + do j=1,lount + if (xobs(j) .ge. xgood(1)) then + jloobs = j + go to 15 + endif + enddo + + +c*****using a 3-point Lagrangian, make an interpolated observed +c spectrum that matches the wavelength step size of the +c synthetic spectrum +15 j = jloobs + do i=1,itotsyn + if (xgood(i) .gt. (xobs(j+1)+xobs(j))/2.) j = j + 1 + q = xgood(i) + zgood(i) = yobs(j-1)*(q-xobs(j))*(q-xobs(j+1))/ + . ((xobs(j-1)-xobs(j))*(xobs(j-1)-xobs(j+1))) + + . yobs(j)*(q-xobs(j-1))*(q-xobs(j+1))/ + . ((xobs(j)-xobs(j-1))*(xobs(j)-xobs(j+1))) + + . yobs(j+1)*(q-xobs(j-1))*(q-xobs(j))/ + . ((xobs(j+1)-xobs(j-1))*(xobs(j+1)-xobs(j))) + enddo + + +c*****next, EITHER do a single cross-correlation + call crosscorr (ishift,spy(1),ygood,zgood,itotsyn) + +c*****next, do the cross-correlation: + imax = 2*maxshift + 1 + do i=1,imax + ishift = i - 1 - maxshift + spx(i) = dble(ishift) + call crosscorr (ishift,spy(i),ygood,zgood,itotsyn) + enddo + +c*****interpolate to find the maximum of the correlation function + corrmax = spy(1) + mc = 1 + do i=2,imax + if (spy(i) .gt. corrmax) then + corrmax = spy(i) + mc = i + endif + enddo + if (mc.eq.1 .or. mc.eq.imax) then + deltawave = 0. + return + endif + xinterp(1) = spx(mc-1) + yinterp(1) = spy(mc-1) + do j=2,21 + q = spx(mc-1) + (j-1)/10. + xinterp(j) = q + yinterp(j) = spy(mc-1)*(q-spx(mc))*(q-spx(mc+1))/ + . ((spx(mc-1)-spx(mc))*(spx(mc-1)-spx(mc+1))) + + . spy(mc)*(q-spx(mc-1))*(q-spx(mc+1))/ + . ((spx(mc)-spx(mc-1))*(spx(mc)-spx(mc+1))) + + . spy(mc+1)*(q-spx(mc-1))*(q-spx(mc))/ + . ((spx(mc+1)-spx(mc-1))*(spx(mc+1)-spx(mc))) + enddo + jmax = 1 + corrmax = yinterp(1) + do j=2,21 + if (yinterp(j) .gt. corrmax) then + jmax = j + corrmax = yinterp(j) + shiftmax = xinterp(j) + endif + enddo + + +c*****translate this into a correction to the input velocity shift + deltawave = -step*shiftmax + deltavel = -3.0d5*step*shiftmax/wavecenter + veladd = veladd + deltavel + + + return + end + + + + + + + + + diff --git a/Crosscorr.f b/Crosscorr.f new file mode 100755 index 0000000..5e33d12 --- /dev/null +++ b/Crosscorr.f @@ -0,0 +1,52 @@ + + subroutine crosscorr (ishift,rxy,xcross,ycross,npx) +c****************************************************************************** +c This routine determines the correlation of array 'x' and array 'y', +c comparing array elements 'i' in 'x' with elements 'i+ishift'; +c the number of points in each array is assumed to be equal. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*4 xcross(100000),ycross(100000) + real*8 xsum,ysum,xysum,x2sum,y2sum,covar,varx,vary + real*8 xx,yy + + + xsum = 0. + ysum = 0. + xysum = 0. + x2sum = 0. + y2sum = 0. + if (ishift .ge. 0) then + minpt = 1 + maxpt = npx - ishift + else + minpt = iabs(ishift) + 1 + maxpt = npx + endif + + + do 10 i=minpt,maxpt + xx = xcross(i) + yy = ycross(i+ishift) + xsum = xsum + xx + ysum = ysum + yy + xysum = xysum + xx*yy + x2sum = x2sum + xx*xx +10 y2sum = y2sum + yy*yy + + + xn = real(maxpt - minpt + 1) + covar = xn*xysum - xsum*ysum + varx = dsqrt(xn*x2sum - xsum*xsum) + vary = dsqrt(xn*y2sum - ysum*ysum) + rxy = sngl(covar/(varx*vary)) + + + return + end + + + + + diff --git a/Curve.f b/Curve.f new file mode 100755 index 0000000..9ce5424 --- /dev/null +++ b/Curve.f @@ -0,0 +1,80 @@ + + subroutine curve +c****************************************************************************** +c This routine produces a curve-of-growth for a single line +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + + +c*****set up the parameters + ewsynthopt = -1 + ncurve = 1 + dec = 10.**(rwstep) + wstart = 10.**(rwlow)*wave1(lim1) + wstop = 10.**(rwhigh)*wave1(lim1) + gf1(ncurve) = gf(lim1) + + +c*****increment the log(gf) value backward by rwstep and redo the calculations +c until the end (rwlow) is reached +31 call oneline (2) + if (w(ncurve) .gt. wstart) then + gf1(ncurve) = gf1(ncurve)/dec + do i=1,ntau + kapnu0(lim1,i) = kapnu0(lim1,i)/dec + enddo + go to 31 + endif + go to 61 + + +c*****increment the log(gf) value forward by rwstep and redo the calculations +c until the end (rwhigh) is reached +60 gf1(ncurve) = gf1(ncurve-1)*dec + do i=1,ntau + kapnu0(lim1,i) = kapnu0(lim1,i)*dec + enddo +61 call oneline (2) + if (w(ncurve) .lt. wstop) then + ncurve = ncurve + 1 + go to 60 + endif + + +c*****end the computations with a summary print + if (nf2out .ne. 0 .and. lim1 .eq. 1) + . write (nf2out,1001) moditle + do i=1,ncurve + w(i) = dlog10(w(i)/wave1(lim1)) + gf1(i) = dlog10(gf1(i)) + enddo + iatom = atom1(lim1) + if(iatom .ge. 100) iatom = 1 + abund = dlog10(xabund(iatom)) + 12. + write (nf1out,1002) wave1(lim1),atom1(lim1),e(lim1,1), + . abund,ncurve + write (nf1out,1003) (gf1(i),w(i),i=1,ncurve) + if (nf2out .eq. 0) return + write (nf2out,1002) wave1(lim1),atom1(lim1),e(lim1,1), + . abund,ncurve + write (nf2out,1003) (gf1(i),w(i),i=1,ncurve) + return + + +c*****format statements +1001 format (a80) +1002 format(/'wavelength =', f9.3,5x, 'species =', f6.1,5x, 'ep =', + . f7.3, 'abundance =', f10.3, 5x, 'n =',i2) +1003 format(' curve of growth in (loggf,logrw) pairs'/ + . (5(f7.3,',',f7.3))) +1004 format (10f7.3) + + + end + + + diff --git a/Dampdat.com b/Dampdat.com new file mode 100755 index 0000000..a0eecd0 --- /dev/null +++ b/Dampdat.com @@ -0,0 +1,17 @@ + + +c****************************************************************************** +c this common block has data relating (so far) to Barklem damping +c quantities; in the future it may be expanded +c****************************************************************************** + + real*8 wavebk(30000), idbk(30000), gammabk(30000), alphabk(30000) + real*8 gammarad(30000) + real*8 wavemin, wavemax + integer firstread, numbark, nummin, nummax + + common/dampdat/ wavebk, idbk, gammabk, alphabk, + . gammarad, + . wavemin, wavemax, + . firstread, numbark, nummin, nummax + diff --git a/Damping.f b/Damping.f new file mode 100755 index 0000000..924b574 --- /dev/null +++ b/Damping.f @@ -0,0 +1,201 @@ + + subroutine damping (linnumber) +c****************************************************************************** +c This subroutine computes damping 'gamma' factors +c and then Voigt parameters 'a' +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + + + j = linnumber + iwave = int(wave1(j)) + iatom10 = nint(10.*atom1(j)) + if (dampnum(j) .lt. 0.) dampnum(j) = 10.**dampnum(j) + + +c*****for a few lines, explicit detailed broadening terms have +c appeared in the literature, and so do these lines with a +c sepaarate subroutine + if (itru .eq. 0) then +c Ca II + if (iatom10 .eq. 201) then + if (iwave .eq. 8498 .or. + . iwave .eq. 8542 .or. + . iwave .eq. 8662 .or. + . iwave .eq. 3933) then + call trudamp (j) + damptype(j) = 'TRUEgam' + return + endif +c CH + elseif(iatom10 .eq. 1060) then + if (iwave .eq. 3693) then + call trudamp (j) + damptype(j) = 'TRUEgam' + return + endif +c Ca I + elseif (iatom10 .eq. 200) then + if (iwave.eq.6717 .or. iwave.eq.6318 + . .or. iwave.eq.6343 .or. iwave.eq.6361) then + call trudamp (j) + damptype(j) = 'TRUEgam' + return + endif +c Ca I autoionization + elseif (iatom10 .eq. 200) then + if (iwave.eq.6318 .or. + . iwave.eq.6343 .or. + . iwave.eq.6361) then + call trudamp (j) + damptype(j) = 'TRUEgam' + return + endif + endif + endif + + +c*****here are the calculations to set up the damping; for atomic lines +c there are several options: +c dampingopt = 0 and dampnum = 0 ---> +c c6 = Unsold formula +c dampingopt = 0 and dampnum < 10^(-15) ---> +c c6 = dampnum +c dampingopt = 0 and 10^(-15) < dampnum < 10^(-5) ---> +c gamma = dampnum +c dampingopt = 0 and dampnum(i) > 10^(-5) ---> +c c6 = (Unsold formula)*dampnum +c dampingopt = 1 ---> +c gammav = gamma_Barklem if possible, +c otherwise use dampingopt=0 options +c dampingopt = 2 ---> +c c6 = c6_Blackwell-group +c dampingopt = 3 and dampnum <= 10^(-10) ---> +c c6 = c6_NEXTGEN for H I, He I, H2 +c dampingopt = 3 and dampnum > 10^(-10) ---> +c c6 = (c6_NEXTGEN for H I, He I, H2)*dampnum +c for molecular lines (lacking a better idea) ---> +c c6 done as in dampingopt = 0 + + +c*****these damping calculations are done at each atmosphere level + if (linprintopt .gt. 2) write (nf1out,1001) j, wave1(j) + do i=1,ntau + ich = nint(charge(j)) + v1 = dsqrt(2.1175d8*t(i)*(1.0/amass(j)+1.008)) + + +c*****first calculate an Unsold approximation to gamma_VanderWaals + if (atom1(j) .gt. 100.) then + ebreakup = 7.0 + else + ebreakup = chi(j,ich) + endif + if (e(j,1).ge.ebreakup .or. e(j,2).ge.ebreakup) then + unsold = 1.0e-33 + else + unsold = dabs(1.61d-33*(13.598*charge(j)/(ebreakup - + . e(j,1)))**2 - 1.61d-33*(13.598*charge(j)/ + . (ebreakup-e(j,2)))**2) + endif + + +c*****dampingopt = 0 or +c*****dampingopt = 1 and no Barklem data + if (dampingopt .eq. 0 .or. + . (dampingopt.eq.1 .and. gambark(j).lt.0)) then + if (dampnum(j) .eq. 0.0) then + damptype(j) = 'UNSLDc6' + gammav = 17.0*unsold**0.4*v1**0.6*numdens(1,1,i) + elseif (dampnum(j) .lt. 1.0d-15) then + damptype(j) = ' MYc6' + gammav = 17.0*dampnum(j)**0.4*v1**0.6*numdens(1,1,i) + elseif (dampnum(j) .lt. 1.0d-04) then + damptype(j) = 'MYgamma' + gammav = dampnum(j)*(t(i)/10000.)**0.3*numdens(1,1,i) + else + damptype(j) = 'MODUNc6' + gammav = + . 17.0*(unsold*dampnum(j))**0.4*v1**0.6*numdens(1,1,i) + endif + + +c*****dampingopt = 1 with extant Barklem data + elseif (dampingopt.eq.1 .and. gambark(j).gt.0.) then + damptype(j) = 'BKgamma' + gammav = + . gambark(j)*(t(i)/10000.)**alpbark(j)*numdens(1,1,i) + + +c*****dampingopt = 2 + elseif (dampingopt .eq. 2) then + damptype(j) = 'BLKWLc6' + gammav = 17.0*((1.0 + 0.67*e(j,1))*unsold)**0.4* + . v1**0.6*numdens(1,1,i) + + +c*****dampingopt = 3 + elseif (dampingopt .eq. 3) then + damptype(j) = 'NXTGNc6' + if (dampnum(j) .le. 1.0d-10) dampnum(j) = 1.0 + c6h = dabs(1.01d-32*(charge(j)**2)* + . (13.598/(ebreakup - e(j,1)))**2 - 1.61d-33* + . (13.598/(ebreakup-e(j,2)))**2) + c6he = dabs((0.204956/0.666793)*1.01d-32* + . (charge(j)**2)*(13.598/(ebreakup - + . e(j,1)))**2 - 1.61d-33*(13.598/(ebreakup- + . e(j,2)))**2) + c6ht = dabs((0.806/0.666793)*1.01d-32* + . (charge(j)**2)*(13.598/(ebreakup - + . e(j,1)))**2 - 1.61d-33*(13.598/(ebreakup- + . e(j,2)))**2) + gammav = 17.0*v1**0.6*(c6h**0.4*numdens(1,1,i) + + . c6he**0.4*numdens(2,1,i) + + . c6ht**0.4*numdens(8,1,i))*dampnum(j)**0.4 + endif + + +c*****compute radiative broadening either by an approximate formula or +c*****the value in Barklem.dat) + if (gamrad(j).ne.0.0 .and. dampingopt .eq. 1) then + gammar = gamrad(j) + else + gammar = 2.223d15/wave1(j)**2 + endif + + +c*****now Stark broadening (approximate formulae) + excdiff = chi(j,nint(charge(j))) - e(j,2) + if (excdiff .gt. 0.0 .and. atom1(j).lt.100.) then + effn2 = 13.6*charge(j)**2/excdiff + else + effn2 = 25. + endif + gammas = 1.0e-8*ne(i)*effn2**2.5 + + +c*****now finish by summing the gammas and computing the Voigt *a* values + gammatot = gammar + gammas + gammav + a(j,i) = gammatot*wave1(j)*1.0d-8/(12.56636*dopp(j,i)) + if (linprintopt .gt. 2) write (nf1out,1002) i, gammar, + . gammas, gammav, gammatot, a(j,i) + enddo + return + + +c*****format statements +1001 format(//' LINE BROADENING PARAMETERS FOR LINE', i4, + . ' AT WAVELENGTH',f8.2/ + . ' i',4x,'natural',6x,'Stark',4x,'VdWaals', + . 6x,'total',5x,'a(j,i)') +1002 format (i3,1p5e11.3) + + + end + + + + diff --git a/Defcolor.f b/Defcolor.f new file mode 100755 index 0000000..16e1c85 --- /dev/null +++ b/Defcolor.f @@ -0,0 +1,36 @@ + + subroutine defcolor (icolor) +c****************************************************************************** +c This routine decides on whether to call for a black & white hardcopy +c plot or a colorful screen plot +c****************************************************************************** + + include 'Pstuff.com' + character*7 colors(8) + + +c*****assign colors to character arrays + colors(1) = 'white ' + colors(2) = 'red ' + colors(3) = 'cyan ' + colors(4) = 'yellow ' + colors(5) = 'green ' + colors(6) = 'magenta' + colors(7) = 'blue ' + colors(8) = 'black ' + + + if (choice.eq.'h' .or. choice.eq.'f' .or. + . choice.eq.'g') then + call sm_ctype (colors(8)) + else + call sm_ctype (colors(icolor)) + endif + + + return + end + + + + diff --git a/Discov.f b/Discov.f new file mode 100755 index 0000000..16e426d --- /dev/null +++ b/Discov.f @@ -0,0 +1,23 @@ + + subroutine discov(amol,i1,i2) +c****************************************************************************** +c This routine returns i2 = the number of times atom i1 appears in +c molecule amol +c****************************************************************************** + + implicit real*8 (a-h,o-z) + integer itest(5) + data itest /100000000, 1000000, 10000, 100, 1/ + i2 = 0 + im = amol + do i=1,5 + i3 = im/itest(i) + if(i3 .eq. i1) i2 = i2 + 1 + im = im - i3*itest(i) + enddo + return + + + end + + diff --git a/Doflux.f b/Doflux.f new file mode 100755 index 0000000..8783723 --- /dev/null +++ b/Doflux.f @@ -0,0 +1,91 @@ + + subroutine doflux +c****************************************************************************** +c This routine produces flux curves +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Dummy.com' + include 'Pstuff.com' + + +c*****examine the parameter file + call params + +c*****open the files for standard output and summary curves-of-growth + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = 6 + array = 'SUMMARY FLUX OUTPUT' + nchars = 19 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + + +c*****open and read the model atmosphere + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****compute the flux curve + wave = start +1 call opacit (2,wave) + if (modprintopt .ge. 2) + . write(nf1out,1002) wave,(kaplam(i),i=1,ntau) + call cdcalc (1) + first = 0.4343*cd(1) + flux = rinteg(xref,cd,dummy1,ntau,first) + if (flux .le. 0.1) flux = 0. + if (iunits .eq. 1) then + write (nf1out,1003) 1.d-4*wave,flux + else + write (nf1out,1004) wave,flux + endif + waveinv = 1.0d4/wave + if (flux .gt. 0.) then + fluxlog = dlog10(flux) + else + fluxlog = -1.0 + endif + write (nf2out,1001) wave, flux, waveinv, fluxlog + wave = wave + step + if (wave .le. sstop) go to 1 + call pltflux + + +c****end the computations + call finish (0) + return + + +c*****format statements +1001 format (1p2d12.4,0p2f10.4) +1002 format (' kaplam from 1 to ntau at wavelength',f11.3/ + 1 (6(1pd12.4))) +1003 format ('AT WAVELENGTH/FREQUENCY =',f11.7, + . ' CONTINUUM FLUX/INTENSITY =', 1pd12.5) +1004 format ('AT WAVELENGTH/FREQUENCY =',f11.3, + . ' CONTINUUM FLUX/INTENSITY =', 1pd12.5) + + + end + + diff --git a/Drawcurs.f b/Drawcurs.f new file mode 100755 index 0000000..3e2871f --- /dev/null +++ b/Drawcurs.f @@ -0,0 +1,51 @@ + + subroutine drawcurs +c****************************************************************************** +c This subroutine draws an arrow and writes the user x- and y-positions +c of the cursor upon a click +c****************************************************************************** + + include 'Pstuff.com' + integer ichr + + + call sm_graphics + if (whichwin .eq. '1of1') then + call sm_window (1,1,1,1,1,1) + elseif (whichwin .eq. '2of2') then + call sm_defvar ('y_gutter','0.0') + call sm_window (1,2,1,1,1,1) + endif + call sm_curs (xplotpos,yplotpos,ichr) + + + call sm_relocate (xplotpos,yplotpos-0.10*(yhi-ylo)) + call sm_draw (xplotpos,yplotpos) + call sm_draw (xplotpos-0.01*(xhi-xlo),yplotpos-0.03*(yhi-ylo)) + call sm_relocate (xplotpos,yplotpos) + call sm_draw (xplotpos+0.01*(xhi-xlo),yplotpos-0.03*(yhi-ylo)) + call writenumber (xplotpos) + call sm_expand (0.6) + call sm_relocate (xplotpos,yplotpos-0.11*(yhi-ylo)) + call sm_putlabel (5,array) + call writenumber (yplotpos) + if (whichwin(4:4) .eq. '1') then + call sm_relocate (xplotpos,yplotpos-0.15*(yhi-ylo)) + elseif (whichwin(4:4) .eq. '2') then + call sm_relocate (xplotpos,yplotpos-0.18*(yhi-ylo)) + elseif (whichwin(4:4) .eq. '3') then + call sm_relocate (xplotpos,yplotpos-0.21*(yhi-ylo)) + endif + call sm_putlabel (5,array) + + + call sm_gflush + call sm_alpha + + + + return + end + + + diff --git a/Dummy.com b/Dummy.com new file mode 100755 index 0000000..4a0726e --- /dev/null +++ b/Dummy.com @@ -0,0 +1,11 @@ + +c****************************************************************************** +c this simply is a "scratch" common block that holds arrays +c that are temporary and will be "recycled" for different +c internal calculation purposes. +c****************************************************************************** + + real*8 dummy1(100), dummy2(100), dummy3(5000), dummy4(5000) + + common/dummy/dummy1, dummy2, dummy3, dummy4 + diff --git a/Eqlib.f b/Eqlib.f new file mode 100755 index 0000000..c2e125d --- /dev/null +++ b/Eqlib.f @@ -0,0 +1,288 @@ + + subroutine eqlib +c****************************************************************************** +c This routine solves the equations of molecular dissociative +c equilibrium. the equations can include neutral and ionized molecules +c and atoms +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Mol.com' + include 'Quants.com' + include 'Dummy.com' + real*8 xfic(30), xcorr(30), deltax(30), c(30,30), ans(30,30) + real*8 uu(2) + real*8 lth + integer ident(30,110) + + +c*****clear the arrays + iorder(1) = 0 + neq = iorder(1) + tdel = (t(ntau)-t(1))/4.0 + 1.0 + do k=1,30 + iorder(k) = 0 + xcorr(k) = 0. + do kk=1,110 + ident(k,kk) = 0 + enddo + enddo + + +c*****the number of species to be considered has been defined in "Inmodel"; +c*****either read in the dissociation data for a molecular species + do jmol=1,nmol + if (amol(jmol) .ge. 100.) then + do k=1,110 + if (datmol(1,k) .eq. amol(jmol)) go to 11 + enddo + write (nf1out,1001) amol(jmol) + stop +11 do kk=1,6 + const(kk,jmol) = datmol(kk+1,k) + enddo + + +c*****or read the ionization data for an atomic species + else + iatom1 = amol(jmol) + 0.0001 + atom = iatom1 + const(1,jmol) = xchi1(iatom1) + do kk=1,5 + ti = t(1) + (kk-1)*tdel + it = ti + do jj=1,2 + att = atom+0.1*(jj-1) + if (partflag(iatom1,jj) .gt. 0) then + uu(jj) = partnew(att,jj,it) + else + uu(jj) = ucalc(att,it) + endif + enddo + const(kk+1,jmol) = uu(2)/uu(1) + enddo + endif + enddo + if (molopt .ge. 2) + . write (nf1out,1002) (amol(i),(const(j,i),j=1,6),i=1,nmol) + + +c*****set up the molecular equilibrium array. each element of array +c*****'ident' contains the identifier (subscript of an element of +c*****array 'amol') of an ion or a molecule. the neutral atom is always +c*****understood, but is not explicitly contained in 'ident'. + nmax = 1 + do jmol=1,nmol + atom = amol(jmol) +2 call sunder(atom,iatom1,iatom2) + do k=1,30 + if (iatom1 .eq. iorder(k)) go to 4 + enddo + neq = neq + 1 + iorder(neq) = iatom1 + ident(neq,1) = jmol + go to 6 +4 do kk=1,nmax + if (ident(k,kk).eq.0 .or. ident(k,kk).eq. jmol) go to 7 + enddo + nmax = nmax + 1 + kk = nmax +7 ident(k,kk) = jmol +6 if (iatom2 .ne. 0) then + atom = iatom2 + go to 2 + endif + enddo + if (molopt .ge. 2) then + do i=1,neq + dummy1(i) = iorder(i) + enddo + write (nf1out,1003) (dummy1(i),i=1,neq),(amol(i),i=1,nmol) + endif + + +c*****now begin the loop that goes through all the atmosphere tau layers + do 21 kev=1,ntau + + +c*****calculate *xfic* and make a first guess at *xatom* + i = ntau + 1 - kev + lev = i + tk = 1.38065d-16*t(i) + do k=1,neq + korder = iorder(k) + xfic(k) = xabund(korder)*nhtot(i) + enddo + if (i .lt. ntau) then + do k=1,neq + xatom(k) = xatom(k)*nhtot(i)/nhtot(i+1) + enddo + else + do k=1,neq + xatom(k) = xfic(k) + enddo + endif + + +c*****compute the number of molecules: +c*****Here is some information about the equilibrium constants. +c*****The equilibrium constants, Kp, are defined as follows: +c +c +c P(A)*P(B) N(A)*N(B) +c Kp(AB) = --------- = kT--------- = +c P(AB) N(AB) +c +c 2*pi*kT 3/2 M(A)*M(B) 3/2 Q(A)*Q(B) +c = kT*(-------) * (---------) * --------- * exp(-D(AB)/kT) +c h^2 M(AB) Q(AB) +c +c +c*****MOOG uses: n(AB)/n(A)n(B) = kt/Kp +c +c Kp - dissociation constant, Q - partition functions, M - masses +c P - partial pressures, N - number densities, T - temperature, +c D - dissociation energy, h - plank constant. Remember to use +c masses in grams (1 amu = 1.660540E-24 g) and energy in ergs +c (1 eV = 1.60219E-12 ergs). Also, k = 1.38065E-16 erg/K, +c h = 6.626076E-27 erg s, and pi = 3.1415926536. +27 do jmol=1,nmol + atom = amol(jmol) + if (atom .ge. 100.) then + if (t(i) .gt. 12000.) then + xmol(jmol,i) = 1.0d-20 + else + xmol(jmol,i) = 1. + count = 0. +37 call sunder(atom,iatom1,iatom2) + count = count + 1. + do k=1,neq + if (iorder(k) .eq. iatom1) + . xmol(jmol,i) = xmol(jmol,i)*xatom(k) + enddo + if (iatom2 .ne. 0) then + atom = iatom2 + go to 37 + endif + hion = 10.0*(amol(jmol) - dint(amol(jmol))) + th = 5040./t(i) + lth = log10(th) + xmol(jmol,i) = xmol(jmol,i)*(((1.38065d-16 * t(i))** + . (count-1.0))/(10.0**(const(2,jmol)+(const(3,jmol)* + . lth)+(const(4,jmol)*(lth**2))+(const(5,jmol)* + . (lth**3))+(const(6,jmol)*(lth**4))- + . (const(1,jmol)*th))))/(ne(i)**hion) + endif + + +c*****compute the number of ions: + else + delt = (t(i)-t(1))/tdel + m = min0(idint(delt)+2,5) + delt = delt - idint(delt) + u1 = const(m,jmol) + + . (const(m+1,jmol)-const(m,jmol))*delt + iatom1 = atom + do k=1,neq + if (iorder(k) .eq. iatom1) xmol(jmol,i) = + . 4.825d15*u1*t(i)**1.5/ne(i)*dexp(-1.1605d4* + . const(1,jmol)/t(i))*xatom(k) + enddo + endif + enddo + + +c*****compute matrix *c*, which is the derivative of each equation with +c*****respect to each atom. + do k=1,neq + deltax(k) = -xfic(k) + xatom(k) + do kk=1,neq + c(k,kk) = 0. + enddo + c(k,k) = 1. + korder = iorder(k) + do kk=1,neq + kderiv = iorder(kk) + do 28 j=1,nmax + jmol = ident(k,j) + if (jmol .eq. 0) go to 28 + call discov(amol(jmol),kderiv,num2) + if (num2 .eq. 0) go to 28 + call discov(amol(jmol),korder,num1) + c(k,kk) = c(k,kk) + xmol(jmol,i)*num1*num2/xatom(kk) + if (k .eq. kk) deltax(k) = deltax(k) + num1*xmol(jmol,i) +28 continue + enddo + enddo + + +c*****calculate array 'xcorr', the change in 'xatom'. array 'xcorr' is +c*****'deltax' multiplied by the inverse of 'c' + call invert (neq,c,ans,30) + do k=1,neq + x1 = xcorr(k) + xcorr(k) = 0. + do kk=1,neq + xcorr(k) = xcorr(k) + ans(k,kk)*deltax(kk) + enddo + enddo + + +c*****decide if another iteration is needed + iflag = 0 + do k=1,neq +c*****here oscillations are damped out + if (x1*xcorr(k) .lt. -0.5*x1**2) xcorr(k) = 0.5*xcorr(k) + x1 = xatom(k) + if (dabs(xcorr(k)/xatom(k)) .gt. 0.005) iflag = 1 + xatom(k) = xatom(k) - xcorr(k) +c*****fix element number densities which are ridiculous + if (xatom(k).le.0.0 .or. xatom(k).ge.1.001*xfic(k)) then + iflag = 1 + xatom(k) = 1.0d-2*dabs(xatom(k)+xcorr(k)) + endif + enddo + if (iflag .ne. 0) go to 27 + + +c*****print out atomic and molecular partial pressures. *xamol* is the +c*****number density for each neutral atom + do k=1,neq + xamol(k,i) = xatom(k) + patom(k) = dlog10(xatom(k)*tk) + enddo + do jmol=1,nmol + pmol(jmol) = dlog10(xmol(jmol,i)*tk) + enddo + if (molopt .ge. 2) then + pglog = dlog10(pgas(lev)) + write (nf1out,1004) lev,int(t(lev)+0.001),pglog, + . (patom(i),i=1,neq), (pmol(i),i=1,nmol) + endif + + +c*****here the big loop in tau ends +21 continue + + +c*****finally, transfer some of this number density output to other arrays + call setmols + return + + +c*****format statements +1001 format ('I do not know this molecule: ',f10.0) +1002 format (/'INPUT EQUILIBRIUM DATA:'/1x, 'species', 2x, + . 'D0/Chi ', 3x, 'const1', 6x, 'const2', 6x, + . 'const3', 6x, 'const4', 6x, 'const5'/ + . (0pf8.1, f8.3, 1p5d12.4)) +1003 format (/'MOLECULAR EQUILIBRIUM SOLUTIONS: (log partial', + . ' pressures listed under names)'/ + . 2x,'i',5x,'T',2x,'Pgas',8f8.1/(15x,8f8.1)) +1004 format (i3,i6,f6.2,8f8.2/(15x,8f8.2)) + + end + + + diff --git a/Equivs.com b/Equivs.com new file mode 100755 index 0000000..688f36c --- /dev/null +++ b/Equivs.com @@ -0,0 +1,24 @@ + +c****************************************************************************** +c this is not really a common block, but it is a way to make +c (in a consistent manner for several routines) definitions +c of some temporary variables that are equivalenced (assigned, +c or in other words, use the same memory space as) other variables. +c This is done so that plotting of large numbers of points (<=50000) +c for synthetic spectra may be accomplished without allocating +c large amounts of additional memory for the code. +c****************************************************************************** + + real*4 chunk(100000,5) + equivalence (chunk(1,1),a(1,1)), + . (chunk(1,2),a(1,21)), + . (chunk(1,3),a(1,41)), + . (chunk(1,4),a(1,61)), + . (chunk(1,5),a(1,81)) + + real*4 xsyn(100000), dev(100000) + equivalence (xsyn,kapnu0(1,1)), (dev,kapnu0(1,21)) + + real*4 y(100000), z(100000) + equivalence (y,kapnu0(1,41)), (z,kapnu0(1,61)) + diff --git a/Ewfind.f b/Ewfind.f new file mode 100755 index 0000000..9bedf3d --- /dev/null +++ b/Ewfind.f @@ -0,0 +1,214 @@ + + subroutine ewfind +c****************************************************************************** +c This routine predicts equivalent widths for individual atomic lines +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + include 'Dummy.com' + real*8 taunu0(100) + character*4 ion(3) + data ion/' I ', ' II ', ' III'/ + +c*****read the parameter file + call params + +c*****open the files for standard output and summary curves-of-growth + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'SUMMARY PREDICTED EW OUTPUT' + nchars = 27 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + + +c*****open and read the model atmosphere + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open and read the line list file; get ready for the line calculations + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + call inlines (1) + call eqlib + call nearly (1) + + +c*****set some parameters and write header stuff to output + ewsynthopt = +1 + mode = 1 + call linlimit + lim1obs = lim1line + lim2obs = lim2line + istat = ivcleof (4,1) + write (nf2out,1002) linitle,moditle + + +c*****run single line computations once to predict the EW for each line + do lim1=lim1line,lim2line + array(1:40) = 'wavelength EP logGF ident' + array(41:60) = ' Abund EWcalc' + lscreen = lscreen + 2 +c call prinfo (lscreen) + write (nf2out,1001) + ncurve = lim1 + lim2 = lim1 + gf1(ncurve) = gf(lim1) + call oneline (1) + widout(lim1) = w(ncurve) + iatom = atom1(lim1) + xab = dlog10(xabund(iatom)) + 12. + ich = idint(charge(lim1) + 0.1) + if (iatom .lt. 100) then + write (array,1003) wave1(lim1), e(lim1,1), + . dlog10(gf(lim1)), names(iatom), + . ion(ich), xab, 1000.*widout(lim1) + lscreen = lscreen + 2 +c call prinfo (lscreen) + write (nf2out,1003) wave1(lim1), e(lim1,1), + . dlog10(gf(lim1)), names(iatom), + . ion(ich) ,xab, 1000.*widout(lim1) + else + write (array,1004) wave1(lim1), e(lim1,1), + . dlog10(gf(lim1)), atom1(lim1), + . xab, 1000.*widout(lim1) + lscreen = lscreen + 2 +c call prinfo (lscreen) + write (nf2out,1004) wave1(lim1), e(lim1,1), + . dlog10(gf(lim1)), atom1(lim1), + . xab, 1000.*widout(lim1) + endif + + +c*****(re)compute the line optical depth at line center and the C_d curve + do i=1,ntau + kapnu(i) = kapnu0(lim1,i) + dummy1(i) = tauref(i)*kapnu(i)/(0.4343*kapref(i)) + enddo + first = tauref(1)*kapnu(1)/kapref(1) + dummy2(1) = rinteg(xref,dummy1,taunu0,ntau,0.) + taunu0(1) = first + do i=1,ntau + taunu(i) = taunu0(i) + enddo + call cdcalc (2) + do i=2,ntau + taunu0(i) = taunu0(i-1) + taunu0(i) + enddo + write (nf2out,1010) + write (nf2out,1011) (i, rhox(i), xref(i), int(t(i)), + . pgas(i), rho(i), xdepth(i), taulam(i), + . taunu0(i), cd(i), i=1,ntau) + + +c*****compute layer where continuum optical depth > 1 + do i=1,ntau + if (taulam(i) .ge. 1.) then + xdepthlam1 = xdepth(i-1) + (1.-taulam(i-1))* + . (xdepth(i)-xdepth(i-1))/(taulam(i)-taulam(i-1)) + write (nf2out,1013) int(xdepthlam1), i + go to 10 + endif + enddo + + +c compute layer where line center optical depth > 1 +10 if (taunu0(ntau) .lt. 1.) then + write (nf2out,1016) + go to 20 + endif + do i=1,ntau + if (taunu0(i) .ge. 1.) then + xdepthnu01 = xdepth(i-1) + (1.-taunu0(i-1))* + . (xdepth(i)-xdepth(i-1))/(taunu0(i)-taunu0(i-1)) + write (nf2out,1014) int(xdepthnu01), i + go to 20 + endif + enddo + + +c compute layer where line center plus continuum optical depth > 1 +20 do i=1,ntau + if (taunu0(i)+taulam(i) .ge. 1.) then + tautot1 = taulam(i-1) + taunu0(i-1) + tautot2 = taulam(i) + taunu0(i) + xdepthtot1 = xdepth(i-1) + (1.-tautot1)* + . (xdepth(i)-xdepth(i-1))/(tautot2-tautot1) + write (nf2out,1015) int(xdepthtot1), i + go to 30 + endif + enddo + + +*****compute mean line-center formation level (weight: contribution function) +30 do i=1,ntau + dummy1(i) = xref(i)*dabs(cd(i)) + enddo + xrefcdinteg = rinteg(xref,dummy1,dummy2,ntau,0.) + do i=1,ntau + dummy1(i) = dabs(cd(i)) + enddo + cdinteg = rinteg(xref,dummy1,dummy2,ntau,0.) + xrefmean = xrefcdinteg/cdinteg + do i=1,ntau + if (xrefmean .le. xref(i)) then + xdepthxrefmean = xdepth(i-1) + (xrefmean-xref(i-1))* + . (xdepth(i)-xdepth(i-1))/(xref(i)-xref(i-1)) + write (nf2out,1017) int(xdepthxrefmean), i, tauref(i), + . taulam(i) + go to 40 + endif + enddo +40 continue + enddo + + +c*****end the abundance computations + call finish (0) + return + + +c*****format statements +1001 format (/'wavelength EP logGF ident', + . ' Abund EWcalc') +1002 format (a80) +1003 format (f10.2,f10.2,f10.3,' ',a2,a3,f10.2,f10.1) +1004 format (f10.2,f10.2,f10.3,a10,f10.2,f10.1) +1010 format (' i', 2x, 'rhox', 5x, 'xref', 5x, 'T', 5x, 'Pgas', + . 6x, 'rho', 8x, 'X', 3x, 'taulam', 3x, 'taunu0', + . 8x, 'Cd') +1011 format (i3, 1pe9.2, 0pf6.2, i6, 1p5e9.2, e10.2) +1013 format (i7, 'km (layer ~', i3, ') = physical depth', + . ' for tau(cont) ~ 1') +1014 format (i7, 'km (layer ~', i3, ') = physical depth', + . ' for tau(line center) ~ 1') +1015 format (i7, 'km (layer ~', i3, ') = physical depth', + . ' for tau(cont)+tau(line center) ~ 1') +1016 format (7x,' NOTE: tau(line center) < 1 at deepest', + . ' atmosphere layer') +1017 format (i7, 'km (layer ~', i3, ') = line center ', + . 'formation mean depth; C_d weight'/ + . 25x, 'where tauref, taulam =', 2f8.3) + + end + diff --git a/Ewweighted.f b/Ewweighted.f new file mode 100755 index 0000000..bbbb397 --- /dev/null +++ b/Ewweighted.f @@ -0,0 +1,86 @@ + + subroutine ewweighted +c****************************************************************************** +c This routine computes a weighted mean EW for one line from a set +c of models +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Multimod.com' + + +c*****start the computations for a line + if (dabs(rwlgerror) .lt. 0.01) write (nf7out,1001) + ewweighttot = 0. + weighttot = 0 + modcount = 0 + iatom = int(atom1(lim1)+0.0001) + xngf = dlog10(xabund(iatom)*gf(lim1)) + deltangf + + +c*****for each model, interpolate in the curve-of-growth to get an EW_calc +c for the assumed abundance + do mmod=1,modtot + ncurvetot = nmodcurve(mmod,lim1) + do icurve=3,ncurvetot-2 + if (gfmodtab(mmod,lim1,icurve) .gt. xngf) then + ic = icurve - 1 + pp = (xngf-gfmodtab(mmod,lim1,ic))/0.15 + rw = rwmodtab(mmod,lim1,ic-1)*(-pp)*(pp-1.)*(pp-2.)/6. + + . rwmodtab(mmod,lim1,ic)*(pp*pp-1.)*(pp-2.)/2. + + . rwmodtab(mmod,lim1,ic+1)*(-pp)*(pp+1.)*(pp-2.)/2. + + . rwmodtab(mmod,lim1,ic+2)*pp*(pp*pp-1.)/6. + ew = 10**rw*wave1(lim1) + go to 10 + endif + enddo + +c*****add this EW to the total, weighting it by flux*radius^2*relcount +10 ewweight = ew*weightmod(mmod,lim1) + weighttot = weighttot + weightmod(mmod,lim1) + ewweighttot = ewweighttot + ewweight + if (dabs(rwlgerror) .lt. 0.01) + . write (nf7out,1005) fmodinput(mmod), + . fmodoutput(mmod), radius(mmod), relcount(mmod), + . fluxmod(mmod,lim1), weightmod(mmod,lim1), + . 1000.*ew, 1000.*ewweight + enddo + + +c*****write out the mean EW + ewmod(lim1) = ewweighttot/weighttot + abundout(lim1) =dlog10(xabund(iatom))+deltangf+12. + if (dabs(rwlgerror) .lt. 0.01) then + write(nf7out,1006) atom1(lim1), wave1(lim1), e(lim1,1), + . dlog10(gf(lim1)), 1000.*ewmod(lim1), + . abundout(lim1) + endif +c write (nf7out,1006) 1000.*ewmod(lim1), abundout(lim1) + return + + +c*****format statements +1001 format ('MODFILE', 5x, 'COGOUT', 9x, 'RADIUS', 3x, '*COUNT', + . 5x, 'FLUX', 3x, 'WEIGHT', 5x, 'EW', ' EWWEIGHT') +1005 format (2a12, 1pe9.2, e9.2, e9.2, e9.2, 0pf7.1, 1pe9.2) +c1006 format ('EWmean, Abundance =', f8.1, f8.2) +1006 format ('Final: ', f5.1, 3x, f8.3, 3x, f6.3, 3x,f7.3,1x,f8.1, + . 1x,f8.2) + + + end + + + + + + + + + + + + + diff --git a/Factor.com b/Factor.com new file mode 100755 index 0000000..28a72eb --- /dev/null +++ b/Factor.com @@ -0,0 +1,27 @@ + +c****************************************************************************** +c this common block is used for multiple syntheses, and contains +c abundance information that MOOG uses to figure out what will be +c altered for the different syntheses. +c****************************************************************************** + + real*8 pecabund(95,5), newpecabund(95,5), abfactor(5) + integer pec(95), newpec(95), + . numpecatom, newnumpecatom, + . numatomsyn, newnumatomsyn, + . isynth, ninetynineflag + real*8 isotope(20), newisotope(20), + . isoabund(20,5), newisoabund(20,5) + integer numiso, newnumiso, + . numisosyn, newnumisosyn, isorun + + common/newfact/pecabund, newpecabund, abfactor, + . pec, newpec, + . numpecatom, newnumpecatom, + . numatomsyn, newnumatomsyn, + . isynth, ninetynineflag + common/iso/ isotope, newisotope, + . isoabund, newisoabund, + . numiso, newnumiso, + . numisosyn, newnumisosyn, isorun + diff --git a/Fakeline.f b/Fakeline.f new file mode 100755 index 0000000..076bf18 --- /dev/null +++ b/Fakeline.f @@ -0,0 +1,91 @@ + + subroutine fakeline +c****************************************************************************** +c This routine creates a representative atomic line with parameters +c that are arbitrarily set in this routine. Then this line is used to +c generate a curve-of-growth for use with the 'abfind' routine. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Quants.com' + include 'Dampdat.com' + + +c*****specify the input parameters of a representative "fake" line; +c*****here we use a real Fe I line because it has Barklem damping data + wave1(1) = 5006.126 + atom1(1) = 26.0 + e(1,1) = 2.833 + e(1,2) = 5.308 + gf(1) = 1.0e-3 + iatom = atom1(1) + charge(1) = 1.0 + amass(1) = xam(iatom) + chi(1,1) = xchi1(iatom) + chi(1,2) = xchi2(iatom) + chi(1,3) = xchi3(iatom) + gammabk(1) = -7.280 + alphabk(1) = 0.238 + gambark(1) = 10.**gammabk(1) + alpbark(1) = (1.-alphabk(1))/2. + if (dampingopt .eq. 0) then + damptype(1) = 'UNSLDc6' + elseif (dampingopt .eq. 1) then + damptype(1) = 'BKgamma' + elseif (dampingopt .eq. 2) then + damptype(1) = 'BLKWLc6' + else + damptype(1) = 'NEXTGEN' + endif + + +c*****do the partition function + call partfn (atom1(1),int(atom1(1)+0.001)) + + +c*****now calculate the dependent quantities, such as doppler parameters, +c damping constant, line opacity at line center + lim1line = 1 + lim2line = 1 + nlines = 1 + idump = nf2out + nf2out = 0 + call nearly (3) + + +c*****setting some counting parameters and do a curve-of-growth + lim1 = 1 + lim2 = 1 + rwlow = -6.7 + rwhigh = -3.7 + rwstep = 0.15 + call curve + nf2out = idump + + +c*****make an interpolated curve-of-growth at very small log gf steps + do i=2,ncurve-2 + k = 30*(i-2) + l = -1 + do m=k+1,k+30 + l = l + 1 + pp = 0.005/0.15*(l-1) + gftab(m) = gf1(2) + 0.005*(m-1) + rwtab(m) = w(i-1)*(-pp)*(pp-1.)*(pp-2.)/6. + + . w(i)*(pp*pp-1.)*(pp-2.)/2. + + . w(i+1)*(-pp)*(pp+1.)*(pp-2.)/2. + + . w(i+2)*pp*(pp*pp-1.)/6. + enddo + enddo + ntabtot = m - 1 + + +c*****exit back to the abfind driver + return + end + + + + diff --git a/Findtic.f b/Findtic.f new file mode 100755 index 0000000..b7d8b99 --- /dev/null +++ b/Findtic.f @@ -0,0 +1,36 @@ + + subroutine findtic (end1,end2,bigtic,smltic) +c****************************************************************************** +c this routine makes tic marks at nice round intervals. +c****************************************************************************** + + implicit real*8(a-h,o-z) + real*4 end1, end2, bigtic, smltic, span, spanlog + + + span = end2 - end1 + if (span .lt. 0.) span = - span + spanlog = alog10(span) + size = ifix(spanlog) + if (spanlog .lt. 0.) size = size - 1 + chop = spanlog - size + if (chop .lt. 0.31) then + bigtic = 10.**(size)/2 + smltic = bigtic/5 + elseif (chop .lt. 0.71) then + bigtic = 10.**(size) + smltic = bigtic/5 + else + bigtic = 10.**(size)*2 + smltic = bigtic/4 + endif + return + + + end + + + + + + diff --git a/Finish.f b/Finish.f new file mode 100755 index 0000000..d2ab425 --- /dev/null +++ b/Finish.f @@ -0,0 +1,46 @@ + + subroutine finish (number) +c****************************************************************************** +c This routine simply wraps up MOOG +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + + +c close the files + if (nfmodel .ne. 0) close (unit=nfmodel) + if (nflines .ne. 0) close (unit=nflines) + if (nfslines .ne. 0) close (unit=nfslines) + if (nftable .ne. 0) close (unit=nftable) + if (nfobs .ne. 0) close (unit=nfobs) + if (nf1out .ne. 0) close (unit=nf1out) + if (nf2out .ne. 0) close (unit=nf2out) + if (nf3out .ne. 0) close (unit=nf3out) + if (nf4out .ne. 0) close (unit=nf4out) + if (nf5out .ne. 0) close (unit=nf5out) + if (control .ne. 'gridsyn' .and. control .ne. 'gridplo') then + if (nf6out .ne. 0) close (unit=nf6out) + if (nf7out .ne. 0) close (unit=nf7out) + if (nf8out .ne. 0) close (unit=nf8out) + if (nf9out .ne. 0) close (unit=nf9out) + if (nf10out .ne. 0) close (unit=nf10out) + endif + +c write the closing message + if (number .eq. 0) then + istat = ivcleof (4,1) + write (array,1001) + istat = ivwrite (5,1,array,79) + endif + return + + +c*****format statements +1001 format (22('<'),10x,'MOOG HAS ENDED!',10x,22('>')) + + + end + + diff --git a/Fluxplot.f b/Fluxplot.f new file mode 100755 index 0000000..7393a3a --- /dev/null +++ b/Fluxplot.f @@ -0,0 +1,98 @@ + + subroutine fluxplot +c****************************************************************************** +c This subroutine creates plots of flux curves +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Dummy.com' + include 'Pstuff.com' + real*8 wavep(2000), fluxp(2000) + real*4 waveplot(2000), flxplt(2000) + real*4 style(1) + + +c*****dump the data into working arrays + rewind nf2out + i = 1 +1 read (nf2out,*,end=10) wavep(i), fluxp(i), waveplot(i), flxplt(i) + i = i + 1 + go to 1 + + +c*****define the plot boundaries +10 ntot = i - 1 + xlo = int(waveplot(1)) + xhi = int(waveplot(ntot)) + ylo = 1.e+30 + yhi = -1.e+30 + do i=1,ntot + ylo = amin1(ylo,flxplt(i)) + yhi = amax1(yhi,flxplt(i)) + enddo + ylo = real(int(ylo+0.5001)) - 0.5 + yhi = real(int(yhi+0.5001)) + 0.5 + + +c*****start the plot via some setup calls + call sm_location (3500,31000,5000,31000) + call sm_limits (xlo,xhi,ylo,yhi) + call findtic (xlo,xhi,bigxtic,smlxtic) + call findtic (ylo,yhi,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the curve-of-growth + call sm_expand (0.6) + call sm_lweight (1.4) + call defcolor (1) + call sm_box (0,0,0,0) + call sm_expand (1.0) + call sm_box (1,2,4,4) + array = '1/lambda' + call sm_relocate (0.5*(xlo+xhi),ylo-0.20*(yhi-ylo)) + call sm_putlabel (5,array) + array = 'log (flux)' + call sm_relocate (xlo-0.10*(xhi-xlo),0.5*(yhi+ylo)) + call sm_angle (90.) + call sm_putlabel (5,array) + call sm_angle (0.) + call sm_ltype (1) + call sm_lweight (0.8) + call sm_grid (0,0) + call sm_ltype (0) + + +c*****plot the computed flux curve points + call sm_expand (1.0) + call defcolor (2) + style(1) = 240.7 + call sm_ptype (style,1) + call sm_points (waveplot,flxplt,ntot) + call defcolor (1) + call sm_relocate ((xhi+xlo)/2.0,ylo+0.07*(yhi-ylo)) + call sm_putlabel (5,moditle) + + +c*****compute total flux and effective temperature; exit normally + do i=1,ntot + wavep(i) = 1.0d-8*wavep(i) + enddo + first = fluxp(1) + fluxtot = rinteg(wavep,fluxp,dummy3,ntot,first) + teff = (3.14159*fluxtot/5.67d-5)**0.25 + write (smitle,1001) fluxtot, teff + call defcolor (5) + call sm_relocate ((xhi+xlo)/2.0,ylo+0.14*(yhi-ylo)) + call sm_putlabel (5,smitle) + return + + +c*****format statements +1001 format ('total flux = ' ,1pd12.4, 5x, 'Teff = ', 0pf6.0) + end + + + + diff --git a/Gammabark.f b/Gammabark.f new file mode 100755 index 0000000..94a697e --- /dev/null +++ b/Gammabark.f @@ -0,0 +1,103 @@ + + subroutine gammabark +c****************************************************************************** +c This subroutine pulls in damping factors from Barklem data +c So far, these data have been compiled from: +c 1. Barklem, P. S., Piskunov, N., & O'Mara, B. J. 2000, +c A&ApS, 142, 467 for (mostly) neutral species +c 2. Barklem, P. S., & Aspelund-Johansson, J. 2005, A&Ap, +c 435, 373 for Fe II lines with E_lower < 70000 cm-1 +c Added column to Barklem.dat for radiative damping, Gamma_rad. -AMcW 12/2013 +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Pstuff.com' + include 'Atmos.com' + include 'Linex.com' + include 'Dampdat.com' + data firstread/0/ + character*80 line + + +c*****on first entry to this routine, read damping data from either +c 'Barklem.dat' or 'BarklemUV.dat', depending on the wavelength region +c of the linelist; read Van der Waals params, if radiative damping +c data are present + if (firstread .eq. 0) then + if (wave1(nlines) .gt. 3000.) then + nwant = 35 + else + nwant = 36 + endif + do k=1,30000 + call blankstring (line) + read (nwant,1001,end=10) line + read (line,*) wavebk(k), idbk(k), gammabk(k), alphabk(k) + if (line(34:) .ne. ' ') then + read(line(34:),*) gammarad(k) + else + gammarad(k) = 0.0 + endif + enddo +10 numbark = k -1 + firstread = 1 + endif + + +c*****identify the Barklem list positions of the wavelength limits of +c the input line list + wavemin = 10000000. + do j=1,nlines+nstrong + if (wave1(j) .lt. wavemin) wavemin = wave1(j) + enddo + wavemax = 0. + do j=1,nlines+nstrong + if (wave1(j) .gt. wavemax) wavemax = wave1(j) + enddo + do k=1,numbark + if (wavemin-wavebk(k) .lt. 1.0) then + nummin = k + exit + endif + enddo + do k=nummin,numbark + if (wavebk(k)-wavemax .gt. 1.0) then + nummax = k + exit + endif + enddo + + +c*****search for Barklem data + do j=1,nlines+nstrong + gambark(j) = -1. + alpbark(j) = -1. + gamrad(j) = -1. + if (atom1(j) .gt. 100.) cycle + iatom10 = nint(10.*atom1(j)) + do k=nummin,nummax + waveerror = -(wave1(j) - wavebk(k))/wavebk(k) + iii = nint(10.*idbk(k)) + if (dabs(waveerror).lt.5.0d-06 .and. + . iii .eq. iatom10) then + gamrad(j) = gammarad(k) + gambark(j) = 10.**gammabk(k) + alpbark(j) = (1.-alphabk(k))/2. + exit + endif + if (waveerror .gt. 5.0d-06) exit + enddo + enddo + + +c*****exit normally + return + + +c*****format statements +1001 format (a80) + end + + + + diff --git a/Getasci.f b/Getasci.f new file mode 100755 index 0000000..db51339 --- /dev/null +++ b/Getasci.f @@ -0,0 +1,42 @@ + + subroutine getasci (num,line) +c****************************************************************************** +c this routine asks for information, by printing out the +c characters contained in 'array', and returns what the +c user types out in array 'chinfo'. Variable 'num' on input +c is the number of characters in 'message', and on output is +c the number of characters in 'chinfo' +c****************************************************************************** + + include 'Pstuff.com' + + write (chinfo,1005) +1005 format (80(' ')) + + istat = ivmove(line-1,1) + istat = ivcleol() + istat = ivmove(line-1,1) + if (num .lt. 10) then + write (errmess,1001) num +1001 format ('(a',i1,'$)') + else + write (errmess,1002) num +1002 format ('(a',i2,'$)') + endif + write (*,errmess) array + num = 80 - num + if (num .lt. 10) then + write (errmess,1003) num +1003 format ('(a',i1,')') + else + write (errmess,1004) num +1004 format ('(a',i2,')') + endif + read (*,errmess) chinfo + call getcount (num,chinfo) + return + + end + + + diff --git a/Getcount.f b/Getcount.f new file mode 100755 index 0000000..8369a03 --- /dev/null +++ b/Getcount.f @@ -0,0 +1,24 @@ + + subroutine getcount (num,linechars) +c*************************************************************************** +c this routine simply counts the number of characters in the +c ascii array 'linechars' until the first blank is seen; +c it is most useful for discovering the length of a file name. +c*************************************************************************** + + character*80 linechars + integer num + + + do i=num,1,-1 + if (linechars(i:i) .ne. ' ') go to 11 + enddo + num = -1 + return +11 num = i + + + return + end + + diff --git a/Getnum.f b/Getnum.f new file mode 100755 index 0000000..6b19e43 --- /dev/null +++ b/Getnum.f @@ -0,0 +1,24 @@ + + subroutine getnum (nchars,line,xnum,xnumsngl) +c****************************************************************************** +c this routine gets a double precision number 'xnum' and its +c equivalent single precision number 'xnumsngl' from screen input; +c if a non-number is typed in, the user will be queried again +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*8 xnum + real*4 xnumsngl + integer line + + + xnum = -9999. +1 call getasci (nchars,line) + if (nchars .lt. 0) return + call number (nchars,line,xnum) + if (xnum .eq. -9999.) go to 1 + xnumsngl = sngl(xnum) + return + + end + diff --git a/Getsyns.f b/Getsyns.f new file mode 100755 index 0000000..40380fd --- /dev/null +++ b/Getsyns.f @@ -0,0 +1,126 @@ + + subroutine getsyns (lscreen,ncall) +c****************************************************************************** +c This routine commands the syntheses to be done (or resyntheses if +c abundances or isotopic ratios are changed) +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Factor.com' + include 'Dummy.com' + + +c*****if the syntheses need to be redone: first rewind the output files, +c then close/reopen line list(s), then rewrite model atmosphere output + if (choice .eq. 'n') then + call chabund + if (choice .eq. 'x') call pltspec (lscreen,ncall) + rewind nf1out + rewind nf2out + if (nflines .ne. 0) then + close (unit=nflines) + open (unit=nflines,file=flines,access='sequential', + . form='formatted',blank='null',status='old', + . iostat=jstat,err=10) + endif + if (nfslines .ne. 0) then + close (unit=nfslines) + open (unit=nfslines,file=fslines,access='sequential', + . form='formatted',blank='null',status='old', + . iostat=jstat,err=10) + endif + if (plotopt .ne. 0) then + rewind nf3out + endif + write (nf1out,1002) modtype + if (modprintopt .ge. 1) then + if (modtype .eq. 'begn ' .or. + . modtype .eq. 'BEGN ') write (nf1out,1003) + write (nf1out,1102) moditle + do i=1,ntau + dummy1(i) = dlog10(pgas(i)) + dummy2(i) = dlog10(ne(i)*1.38054d-16*t(i)) + enddo + write (nf1out,1103) wavref,(i,xref(i),tauref(i),t(i), + . dummy1(i), pgas(i),dummy2(i),ne(i), + . vturb(i),i=1,ntau) + write (nf1out,1104) + do i=1,95 + dummy1(i) = dlog10(xabund(i)) + 12.0 + enddo + write (nf1out,1105) (names(i),i,dummy1(i),i=1,95) + write (nf1out,1106) modprintopt, molopt, linprintopt, + . fluxintopt + write (nf1out,1107) (kapref(i),i=1,ntau) + endif + linprintopt = linprintalt + choice = '1' + endif + + +c*****now do the syntheses + if (numpecatom .eq. 0 .or. numatomsyn .eq. 0) then + isynth = 1 + isorun = 1 + nlines = 0 + mode = 3 + call inlines (1) + call eqlib + call nearly (1) + call synspec + else + do n=1,numatomsyn + isynth = n + isorun = n + start = oldstart + sstop = oldstop + mode = 3 + molopt = 2 + call inlines (1) + call eqlib + call nearly (1) + call synspec + linprintopt = 0 + enddo + endif + return + + +c*****a nonsense situation: the line list read in successfully at the +c*****start, but now there is a problem on re-synthesis +10 write (*,1108) + stop + + +c*****format statements +1002 format (13('-'),'MOOG OUTPUT FILE',10('-'), + . '(MOOG version NOV 2019)',13('-')// + . 'THE MODEL TYPE: ',a10) +1003 format (' The Rosseland opacities and optical depths have ', + . 'been read in') +1102 format (/'MODEL ATMOSPHERE HEADER:'/a80/) +1103 format ('INPUT ATMOSPHERE QUANTITIES',10x, + . '(reference wavelength =',f10.2,')'/3x,'i',2x,'xref',3x, + . 'tauref',7x,'T',6x,'logPg',4x,'Pgas',6x,'logPe', + . 5x,'Ne',9x,'Vturb'/ + . (i4,0pf6.2,1pd11.4,0pf9.1,f8.3,1pd11.4,0pf8.3, + . 1pd11.4,d11.2)) +1104 format (/'INPUT ABUNDANCES: (log10 number densities, log H=12)'/ + . ' Default solar abundances: Asplund et al. 2009') +1105 format (5(3x,a2,'(',i2,')=',f5.2)) +1106 format (/'OPTIONS: atmosphere = ',i1,5x,'molecules = ',i1/ + . ' lines = ',i1,5x,'flux/int = ',i1) +1107 format (/'KAPREF ARRAY:'/(6(1pd12.4))) +1108 format ('something odd: linelist was OK initially, now cannot ', + . 'be read; I QUIT!') + + + end + + + + + diff --git a/Gridplo.f b/Gridplo.f new file mode 100755 index 0000000..45a304c --- /dev/null +++ b/Gridplo.f @@ -0,0 +1,90 @@ + + subroutine gridplo +c****************************************************************************** +c This routine plots a spectrum that already has been synthesized +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + + +c*****examine the parameter file +1 call params + + +c*****open the files for: raw spectrum depths (as input), smoothed +c spectra (output), and (if desired) IRAF-style smoothed spectra (output) + nf2out = 21 + lscreen = 4 + array = 'RAW SYNTHESES INPUT' + nchars = 19 + call infile ('input ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + if (plotopt .ne. 0) then + nf3out = 22 + lscreen = lscreen + 2 + array = 'SMOOTHED SYNTHESES OUTPUT' + nchars = 25 + call infile ('output ',nf3out,'formatted ',0,nchars, + . f3out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + endif + if (plotopt .gt. 1) then + nf6out = 27 + lscreen = lscreen + 2 + array = 'SPECTRUM COMPARISON OUTPUT' + nchars = 27 + call infile ('output ',nf6out,'formatted ',0,nchars, + . f6out,lscreen) + endif + if (iraf .ne. 0) then + nf4out = 23 + lscreen = lscreen + 2 + array = 'IRAF ("rtext") OUTPUT' + nchars = 24 + call infile ('output ',nf4out,'formatted ',0,nchars, + . f4out,lscreen) + endif + + +c*****now plot the spectrum + if (plotopt.eq.2 .and. specfileopt.gt.0) then + nfobs = 33 + lscreen = lscreen + 2 + array = 'THE OBSERVED SPECTRUM' + nchars = 21 + if (specfileopt.eq.1 .or. specfileopt.eq.3) then + call infile ('input ',nfobs,'unformatted',2880,nchars, + . fobs,lscreen) + else + call infile ('input ',nfobs,'formatted ',0,nchars, + . fobs,lscreen) + endif + endif + if (plotopt .ne. 0) then + line = 10 + ncall = 1 + call pltspec (line,ncall) + endif + + +c*****finish + if (control .ne. 'gridend') then + call finish (1) + go to 1 + else + call finish (0) + endif + return + + + end + + + diff --git a/Gridsyn.f b/Gridsyn.f new file mode 100755 index 0000000..aca7e4f --- /dev/null +++ b/Gridsyn.f @@ -0,0 +1,156 @@ + + subroutine gridsyn +c****************************************************************************** +c This program can synthesize multiple sections of spectra for multiple +c input model atmospheres +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Factor.com' + include 'Mol.com' + include 'Linex.com' + include 'Pstuff.com' + + +c*****examine the parameter file +1 call params + linprintopt = linprintalt + + +c*****open the files for: standard output, raw spectrum depths, smoothed +c spectra, and (if desired) IRAF-style smoothed spectra + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'RAW SYNTHESIS OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + if (plotopt .gt. 0) then + nf3out = 22 + lscreen = lscreen + 2 + array = 'SMOOTHED SYNTHESES OUTPUT' + nchars = 25 + call infile ('output ',nf3out,'formatted ',0,nchars, + . f3out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + endif + if (plotopt .gt. 1) then + nf6out = 27 + lscreen = lscreen + 2 + array = 'SPECTRUM COMPARISON OUTPUT' + nchars = 27 + call infile ('output ',nf6out,'formatted ',0,nchars, + . f6out,lscreen) + endif + if (iraf .ne. 0) then + nf4out = 23 + lscreen = lscreen + 2 + array = 'IRAF ("rtext") OUTPUT' + nchars = 24 + call infile ('output ',nf4out,'formatted ',0,nchars, + . f4out,lscreen) + endif + + +c*****open and read the model atmosphere file + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open the line list file and the strong line list file + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + if (dostrong .gt. 0) then + nfslines = 32 + lscreen = lscreen + 2 + array = 'THE STRONG LINE LIST' + nchars = 20 + call infile ('input ',nfslines,'formatted ',0,nchars, + . fslines,lscreen) + endif + + +c*****do the syntheses + if (numpecatom .eq. 0 .or. numatomsyn .eq. 0) then + isorun = 1 + isynth = 1 + nlines = 0 + mode = 3 + call inlines (1) + call eqlib + call nearly (1) + call synspec + else + do n=1,numatomsyn + isynth = n + isorun = n + start = oldstart + sstop = oldstop + mode = 3 + call inlines (1) + molopt = 2 + call eqlib + call nearly (1) + call synspec + linprintopt = 0 + enddo + endif + + +c*****now plot the spectrum + if (plotopt.eq.2 .and. specfileopt.gt.0) then + nfobs = 33 + lscreen = lscreen + 2 + array = 'THE OBSERVED SPECTRUM' + nchars = 21 + if (plotopt.eq.1 .or. specfileopt.eq.3) then + call infile ('input ',nfobs,'unformatted',2880,nchars, + . fobs,lscreen) + else + call infile ('input ',nfobs,'formatted ',0,nchars, + . fobs,lscreen) + endif + endif + if (plotopt .ne. 0) then + ncall = 1 + call pltspec (lscreen,ncall) + endif + + +c*****finish + if (control .ne. 'gridend') then + call finish (1) + go to 1 + else + call finish (0) + endif + return + + end + + + + + + diff --git a/Infile.f b/Infile.f new file mode 100755 index 0000000..2f8f8da --- /dev/null +++ b/Infile.f @@ -0,0 +1,99 @@ + + subroutine infile (type,iunit,mode,irec,charcount,fname,line) +c****************************************************************************** +c this routine serves to open files for reading, and does minimal +c error checking. +c****************************************************************************** + + include 'Atmos.com' + include 'Pstuff.com' + integer charcount + character type*7,kstat*7,yesno*1,mode*11 + character fname*80 + +c decide on the file status desired + jstat = 0 + if (type .eq. 'input ') then + kstat = 'old ' + elseif (type .eq. 'output ') then + kstat = 'new ' + elseif (type .eq. 'overout') then + kstat = 'unknown' + endif + +c write out the appropriate message about this file +5 nchars = charcount + if (fname .eq. 'optional_output_file') then + return + elseif (fname .eq. 'no_filename_given') then + array(charcount+1:charcount+24) ='; what is the filename? ' + charcount = charcount + 24 + call getasci (charcount,line) + fname = chinfo + else + array(charcount+1:charcount+24) ='; here is the filename: ' + array(charcount+25:79) = fname + charcount = 79 + call putasci (charcount,line) + if (type .ne. 'input ') kstat = 'unknown' + endif + +c open the file specified by the user, earlier or now +6 if (mode .eq. 'formatted ') then + open (unit=iunit,file=fname,access='sequential', + . form=mode,blank='null',status=kstat, + . iostat=jstat,err=10) + else + open (unit=iunit,file=fname,access='direct', + . form=mode,status=kstat,recl=irec, + . iostat=jstat,err=10) + endif + istat = ivmove (line+1,1) + istat = ivcleol () + return + +c here are the file reading error messages; +c if an expected file is not found, 118 is the error code for SunOS, 1018 +c is for Solaris, and 2 is for Redhat Linux operating systems. +10 if (jstat .eq. 118 .or. jstat .eq. 1018 .or. + . jstat .eq. 2) then + write (errmess,1001) jstat + istat = ivwrite (line+2,3,errmess,44) + fname = 'no_filename_given' + charcount = nchars + go to 5 +c if a file is in danger of being over-written, 117 is the error code for +c SunOS, 1017 is for Solaris, and 128 is for Redhat Linux operating systems. + elseif (jstat .eq. 117 .or. jstat .eq. 1017 .or. + . jstat .eq. 128) then + write (errmess,1002) jstat + istat = ivwrite (line+2,3,errmess,41) + read (*,*) yesno + if (yesno .eq. 'y') then + kstat = 'unknown' + go to 6 + else + write (errmess,1003) + istat = ivwrite (line+2,3,errmess,32) + fname = 'no_filename_given' + charcount = nchars + go to 5 + endif + else + write (errmess,1004) jstat + istat = ivwrite (line+2,3,errmess,46) + endif + + +c*****format statements +1001 format ('ERROR ',i4,': FILE DOES NOT EXIST! TRY AGAIN.') +1002 format ('ERROR ',i4,': FILE EXISTS! OVERWRITE (y/n)?') +1003 format ('PLEASE GIVE A DIFFERENT FILENAME') +1004 format ('ERROR ',i4,': UNKNOWN FILE READING ERROR; ABORT!') + + + end + + + + diff --git a/Inlines.f b/Inlines.f new file mode 100755 index 0000000..05df706 --- /dev/null +++ b/Inlines.f @@ -0,0 +1,312 @@ + + subroutine inlines (num) +c****************************************************************************** +c This subroutine reads in the line data +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Dummy.com' + include 'Pstuff.com' + include 'Quants.com' + include 'Factor.com' + real*8 swave1(40), satom1(40), se(40),sgf(40), + . sdampnum(40),sd0(40),swidth(40), scharge(40) + integer n2 + + + if (num .eq. 2) go to 4 + if (num .eq. 6) go to 340 + n1marker = 1 + n2 = 0 + + +c*****decide if certain element abundances need to be modified. + if (numpecatom .gt. 0) then + do iatom=3,95 + xabund(iatom) = 10.**pecabund(iatom,isynth)* + . 10.**abfactor(isynth)*xabu(iatom) + enddo + endif + if (num .ne. 5) then + write (nf1out,1004) + xmetals = abscale + abfactor(isynth) + if (ninetynineflag .eq. 1) then + write (nf1out,1005) xmetals + if (nf2out .gt. 0) write (nf2out,1005) xmetals + else + if (nf2out .gt. 0) write (nf2out,1006) abscale + endif + do j=1,93 + if (pec(j) .gt. 0 ) then + dummy1(j) = dlog10(xabund(j)) + 12.0 + if (dummy1(j) .le. -10.) then + write (nf1out,1008) names(j),dummy1(j) + if (nf2out .gt. 0) + . write (nf2out,1008) names(j),dummy1(j) + else + write (nf1out,1007) names(j),dummy1(j) + if (nf2out .gt. 0) + . write (nf2out,1007) names(j),dummy1(j) + endif + endif + enddo + endif + + +c*****output information about the isotopic ratios + if (numiso .gt. 0) then + write (nf1out,1014) + do i=1,numiso + iiso = isotope(i) + write (nf1out,1015) iiso, isotope(i), isoabund(i,isorun) + if (nf2out .gt. 0) write (nf2out,1015) + . iiso, isotope(i), isoabund(i,isorun) + enddo + endif + + + +c*****Inititalize strong line printing +c if 'printstrong' gt 0 then the strong lines have +c been printed + printstrong = -1 + + if (num .ne. 4) then + rewind nflines + wave = start + read (nflines,1001) linitle + endif + + +c*****read in the strong lines if needed +302 nstrong = 0 + if (dostrong .gt. 0 ) then + rewind nfslines + do j=1,41 + if (linfileopt .eq. 0) then + read (nfslines,1002,end=340) swave1(j),satom1(j),se(j), + . sgf(j),sdampnum(j),sd0(j),swidth(j) + else + read (nfslines,*,end=340) swave1(j),satom1(j),se(j), + . sgf(j),sdampnum(j),sd0(j),swidth(j) + endif + nstrong = nstrong + 1 + iatom = satom1(j) + scharge(j) = 1.0 + dble(int(10.0*(satom1(j) - iatom) + . +0.0001)) + if (scharge(j) .gt. 3.) then + write (*,1003) swave1(i), satom1(i) + stop + endif + enddo + if (nstrong .gt. 40) then + write(*,*) 'STRONG LINE LIST HAS MORE THAN 40 LINES. THIS' + write(*,*) 'IS NOT ALLOWED. I QUIT!' + stop + endif + endif + +340 nlines = 2500 - nstrong + j = 1 +333 if (linfileopt .eq. 0) then + read (nflines,1002,end=311) wave1(j),atom1(j),e(j,1),gf(j), + . dampnum(j),d0(j),width(j) + else + read (nflines,*,end=311) wave1(j),atom1(j),e(j,1),gf(j), + . dampnum(j),d0(j),width(j) + endif + iatom = atom1(j) + charge(j) = 1.0 + dble(int(10.0*(atom1(j) - iatom)+0.0001)) + if (charge(j) .gt. 3.) then + write (*,1003) wave1(j), atom1(j) + stop + endif + if (width(j) .lt. 0.) then + if (control .eq. 'blends ') then + write (*,*) 'BLENDS cannot have negative EWs! I QUIT!' + stop + else + go to 333 + endif + endif + if (iunits .eq. 1) wave1(j) = 1.d+4*wave1(j) + j = j + 1 + if (j .le. nlines) go to 333 +311 nlines = j - 1 + + +c*****append the strong lines here if necessary + if (dostrong .gt. 0) then + do k=1,nstrong + wave1(nlines+k) = swave1(k) + atom1(nlines+k) = satom1(k) + e(nlines+k,1) = se(k) + gf(nlines+k) = sgf(k) + dampnum(nlines+k) = sdampnum(k) + d0(nlines+k) = sd0(k) + width(nlines+k) = swidth(k) + charge(nlines+k) = scharge(k) + enddo + endif + + +c*****here groups of lines for blended features are defined + do j=1,nlines+nstrong + if (wave1(j) .lt. 0.) then + group(j) = 1 + wave1(j) = dabs(wave1(j)) + width(j) = width(j-1) + else + group(j) = 0 + endif + enddo + + +c*****here excitation potentials are changed from cm^-1 to eV, if needed + do j=1,nlines+nstrong + if (e(j,1) .gt. 50.) then + do jj=1,nlines+nstrong + e(jj,1) = 1.2389e-4*e(jj,1) + enddo + exit + endif + enddo + + +c*****here log(gf) values are turned into gf values, if needed + do j=1,nlines+nstrong + if (gfstyle.eq.0 .or. gf(j) .lt. 0) then + do jj=1,nlines+nstrong + gf(jj) = 10.**gf(jj) + enddo + exit + endif + enddo + + +c*****turn log(RW) values and EW values in mA into EW values in A. Stuff +c duplicate EW values of the first line of a blend into all blend members. + do j=1,nlines+nstrong + if (width(j) .lt. 0.) then + width(j) = 10.**width(j)*wave1(j) + else + width(j) = width(j)/1000. + endif + enddo + + +c*****here some parameters for the lines are assigned or calculated; +c there is a block of statements for moleculer lines, +c and a different one for atomic lines + do j=1,nlines+nstrong + iatom = atom1(j) + atom10 = 10.*atom1(j) + e(j,2) = e(j,1) + 1.239d+4/wave1(j) + + +c*****here are the calculations specific to molecular lines + if (iatom .ge. 100) then + call sunder (atom1(j),ia,ib) + if (ia .gt. ib) then + write (*,1010) ia,ib + stop + endif + if (atom10-int(atom10) .le. 0.0) then + amass(j) = xam(ia) + xam(ib) + mas1 = xam(ia) + 0.0000001 + mas2 = xam(ib) + 0.0000001 + else + jat100 = int(100.*(atom10+0.00001)) + mas1 = jat100 - 100*int(atom10) + jat10000 = int(10000.*(atom10+0.00001)) + mas2 = jat10000 - 100*jat100 + if (mas1.gt.mas2 .or. mas1.le.0.0 .or. + . mas2.le.0.0) then + write (*,1011) mas1, mas2 + stop + endif + amass(j) = mas1 + mas2 + endif +c*****use an internal dissociation energy for molecules if the user +c does not read one in + if (d0(j) .eq. 0.) then + do k=1,110 + if (int(datmol(1,k)+0.01) .eq. + . int(atom1(j)+0.01)) then + d0(j) = datmol(2,k) + go to 390 + endif + enddo + write (*,1013) atom1(j) + stop + endif +390 rdmass(j) = mas1*mas2/amass(j) + chi(j,1) = 0. + chi(j,2) = 0. + chi(j,3) = 0. + + +c*****here are the calculations specific to atomic lines + else + if (atom10-int(atom10) .le. 0.0) then + amass(j) = xam(iatom) + else + atom10 = atom10 + 0.00001 + amass(j) = int(1000*(atom10-int(atom10))) + endif + rdmass(j) = 0. + chi(j,1) = xchi1(iatom) + chi(j,2) = xchi2(iatom) + chi(j,3) = xchi3(iatom) + endif + enddo + + +c*****quit the routine normally + if (nlines+nstrong .lt. 2500) then + if (sstop .gt. wave1(nlines)+10.) sstop = wave1(nlines)+10. + endif + lim1line = 1 + return + + +c****prepare to get another chunk of line data +4 n2 = n1marker + lim1line - 1 + n1marker = n2 + rewind nflines + do j=1,n2 + read (nflines,1001) + enddo + start = wave + go to 302 + + +c*****format statements +1001 format (a80) +1002 format (7e10.3) +1003 format ('INPUT STRONG LINE: LAMBDA = ', f10.3, ' AND ID = ', + . f6.1, ' CANNOT BE DONE!'/ + . 'NO TRIPLE OR GREATER IONS; I QUIT!') +1004 format (/'For these computations, some abundances have ', + . ' been altered:') +1005 format ('Changing overall metallicity: ', f6.2, ' dex') +1006 format ('ALL abundances NOT listed below differ ', + . 'from solar by ', f6.2, ' dex') +1007 format ('element ', a2, ': abundance = ', f5.2) +1008 format ('element ', a2, ': abundance = ', f5.1) +1010 format ('ATOMIC NUMBERS IN MOLECULAR NAME (', + . 2i2, ') ARE IN WRONG ORDER'/'I QUIT!!!') +1011 format ('ISOTOPIC MASS NUMBERS IN MOLECULAR NAME (', + . 2i3, ') ARE IN WRONG ORDER OR ARE WEIRD;'/'I QUIT!!!') +1013 format (f6.1, ' IS AN UNKOWN MOLECULE; I QUIT!') +1014 format ('Isotopic Ratios given for this synthesis') +1015 format ('Isotopic Ratio: [', i4, '/', f10.5, '] = ', f10.3) + + + end + + + diff --git a/Inmodel.f b/Inmodel.f new file mode 100755 index 0000000..e4d9e5b --- /dev/null +++ b/Inmodel.f @@ -0,0 +1,439 @@ + + subroutine inmodel +c****************************************************************************** +c This subroutine reads in the model +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Quants.com' + include 'Factor.com' + include 'Dummy.com' + include 'Pstuff.com' + real*8 element(95), logepsilon(95) + real*8 kaprefmass(100) + real*8 bmol(110) + integer nel(7) + character list*80, list2*70 + integer append + data (nel(i),i=1,7)/ 1, 2, 6, 12, 13, 14, 26/ + + +c*****Read in the key word to define the model type + modelnum = modelnum + 1 + rewind nfmodel + read (nfmodel,2001) modtype + write (nf1out,1010) modtype + if (modtype .eq. 'begn ' .or. modtype .eq. 'BEGN ') + . write (nf1out,1011) + + +c*****Read a comment line (usually describing the model) + read (nfmodel,2002) moditle + + +c*****Read the number of depth points + read (nfmodel,2002) list + list2 = list(11:) + read (list2,*) ntau + if (ntau .gt. 100) then + write (array,1012) + call prinfo (10) + stop + endif + + +c*****EITHER: Read in a model from the output of the experimental new +c MARCS code. This modtype is called "NEWMARCS". On each line +c the numbers are: +c tau(5000), t, pe, pgas, rho, model microtrubulent velocity, +c and mean opacity (cm^2/gm) at the reference wavelength (5000A). + if (modtype .eq. 'NEWMARCS ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),ne(i),pgas(i),rho(i), + . vturb(1),kaprefmass(i) + enddo +c*****OR: Read in a model from the output of the on-line new +c MARCS code. This modtype is called "WEBMARCS". On each line +c the numbers are: +c layer number (not needed), log{tau(Rosseland)} (not needed), +c log{tau(5000)}, depth, t, pe, pgas, prad (not read in) and +c pturb (not read in) + elseif (modtype .eq. 'WEBMARCS') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) k, dummy1(k), tauref(i), dummy2(k), t(i), + . ne(i), pgas(i) + enddo +c*****OR: Read in a model from an alternative form of on-line new +c MARCS code. This modtype is called "WEB2MARC". On each line +c the numbers are: +c atmospheric layer number (not needed), log{tau(5000)}, t, +c log(Pe), log(Pgas), rhox + elseif (modtype .eq. 'WEB2MARC') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) k,tauref(i),t(i),ne(i),pgas(i),rhox(i) + enddo +c OR: Read in a model from the output of the ATLAS code. This +c modtype is called "KURUCZ". On each line the numbers are: +c rhox, t, pgas, ne, and Rosseland mean opacity (cm^2/gm), and +c two numbers not used by MOOG. + elseif (modtype .eq. 'KURUCZ ') then + do i=1,ntau + read (nfmodel,*) rhox(i),t(i),pgas(i),ne(i),kaprefmass(i) + enddo +c OR: Read in a model from the output of the NEXTGEN code. This +c modtype is called "NEXTGEN". These models have tau scaled at a +c specific wavelength that is read in before the model. MOOG will +c need to generate the opacities internally.On each line the numbers +c are: tau, t, pgas, pe, density, mean molecular weight, two numbers +c not used by MOOG, and Rosseland mean opacity (cm^2/gm). + elseif (modtype .eq. 'NEXTGEN ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i), rho(i), + . molweight(i), x2, x3, kaprefmass(i) + enddo +c OR: Read in a model from the output of the MARCS code. This modtype +c type is called "BEGN". On each line the numbers are: +c tauross, t, log(pg), log(pe), mol weight, and kappaross. + elseif (modtype .eq. 'BEGN ') then + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i), + . molweight(i), kaprefmass(i) + enddo +c OR: Read in a model generated from ATLAS, but without accompanying +c opacities. MOOG will need to generate the opacities internally, +c using a reference wavelength that it reads in before the model. + elseif (modtype .eq. 'KURTYPE') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) rhox(i),t(i),pgas(i),ne(i) + enddo +c OR: Read in a model generated from ATLAS, with output generated +c in Padova. The columns are in somewhat different order than normal + elseif (modtype .eq. 'KUR-PADOVA') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),kaprefmass(i), + . ne(i),pgas(i),rho(i) + enddo +c OR: Read in a generic model that has a tau scale at a specific +c wavelength that is read in before the model. +c MOOG will need to generate the opacities internally. + elseif (modtype .eq. 'GENERIC ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i) + enddo +c OR: quit in utter confusion if those model types are not specified + else + write (*,1001) + stop + endif + + +c*****Compute other convenient forms of the temperatures + do i=1,ntau + theta(i) = 5040./t(i) + tkev(i) = 8.6171d-5*t(i) + tlog(i) = dlog(t(i)) + enddo + + +c*****Convert from logarithmic Pgas scales, if needed + if (pgas(ntau)/pgas(1) .lt. 10.) then + do i=1,ntau + pgas(i) = 10.0**pgas(i) + enddo + endif + + +c*****Convert from logarithmic Ne scales, if needed + if(ne(ntau)/ne(1) .lt. 20.) then + do i=1,ntau + ne(i) = 10.0**ne(i) + enddo + endif + + +c*****Convert from Pe to Ne, if needed + if(ne(ntau) .lt. 1.0e7) then + do i=1,ntau + ne(i) = ne(i)/1.38054d-16/t(i) + enddo + endif + + +c*****compute the atomic partition functions + do j=1,95 + elem(j) = dble(j) + call partfn (elem(j),j) + enddo + + +c*****Read the microturbulence (either a single value to apply to +c all layers, or a value for each of the ntau layers). +c Conversion to cm/sec from km/sec is done if needed + read (nfmodel,2003) (vturb(i),i=1,6) + if (vturb(2) .ne. 0.) then + read (nfmodel,2003) (vturb(i),i=7,ntau) + else + do i=2,ntau + vturb(i) = vturb(1) + enddo + endif + if (vturb(1) .lt. 100.) then + write (moditle(55:62),1008) vturb(1) + do i=1,ntau + vturb(i) = 1.0e5*vturb(i) + enddo + else + write (moditle(55:62),1008) vturb(1)/1.0e5 + endif + + +c*****Read in the abundance data, storing the original abundances in xabu +c*****The abundances not read in explicity are taken from the default +c*****solar ones contained in array xsolar. + read (nfmodel,2002) list + list2 = list(11:) + read (list2,*) natoms,abscale + write (moditle(63:73),1009) abscale + if(natoms .ne. 0) + . read (nfmodel,*) (element(i),logepsilon(i),i=1,natoms) + xhyd = 10.0**xsolar(1) + xabund(1) = 1.0 + xabund(2) = 10.0**xsolar(2)/xhyd + do i=3,95 + xabund(i) = 10.0**(xsolar(i)+abscale)/xhyd + xabu(i) = xabund(i) + enddo + if (natoms .ne. 0) then + do i=1,natoms + xabund(idint(element(i))) = 10.0**logepsilon(i)/xhyd + xabu(idint(element(i))) = 10.0**logepsilon(i)/xhyd + enddo + endif + +c*****Compute the mean molecular weight, ignoring molecule formation +c in this approximation (maybe make more general some day?) + wtnum = 0. + wtden = 0. + do i=1,95 + wtnum = wtnum + xabund(i)*xam(i) + wtden = wtden + xabund(i) + enddo + wtmol = wtnum/(xam(1)*wtden) + nomolweight = 0 + if (modtype .eq. 'BEGN ' .or. modtype .eq. 'NEXTGEN ') then + nomolweight = 1 + endif + if (nomolweight .ne. 1) then + do i=1,ntau + molweight(i) = wtmol + enddo + endif + +c*****Compute the density + if (modtype .ne. 'NEXTGEN ') then + do i=1,ntau + rho(i) = pgas(i)*molweight(i)*1.6606d-24/(1.38054d-16*t(i)) + enddo + endif + + +c*****Calculate the fictitious number density of hydrogen +c Note: ph = (-b1 + dsqrt(b1*b1 - 4.0*a1*c1))/(2.0*a1) + iatom = 1 + call partfn (dble(iatom),iatom) + do i=1,ntau + th = 5040.0/t(i) + ah2 = 10.0**(-(12.7422+(-5.1137+(0.1145-0.0091*th)*th)*th)) + a1 = (1.0+2.0*xabund(2))*ah2 + b1 = 1.0 + xabund(2) + c1 = -pgas(i) + ph = (-b1/2.0/a1)+dsqrt((b1**2/(4.0*a1*a1))-(c1/a1)) + nhtot(i) = (ph+2.0*ph*ph*ah2)/(1.38054d-16*t(i)) + enddo + + +c*****Molecular equilibrium called here. +c First, a default list of ions and molecules is considered. Then the +c user's list is read in. A check is performed to see if any of these +c species need to be added. If so, then they are appended to the +c default list. The molecular equilibrium routine is then called. +c Certain species are important for continuous opacities and damping +c calculations - these are read from the equilibrium solution and +c saved. + + +c*****Set up the default molecule list + if (molset .eq. 0) then + nmol = 30 + else + nmol = 59 + endif + if (molset .eq. 0) then + do i=1,110 + amol(i) = smallmollist(i) + enddo + elseif (molset .eq. 1) then + do i=1,110 + amol(i) = largemollist(i) + enddo + else + array = 'molset = 0 or 1 only; I quit!' + call putasci (29,6) + stop + endif + + +c*****Read in the names of additional molecules to be used in +c molecular equilibrium if needed. + read (nfmodel,2002,end=101) list + list2 = list(11:) + read (list2,*) moremol + if (moremol .ne. 0) then + read (nfmodel,*) (bmol(i),i=1,moremol) + append = 1 + do k=1,moremol + do l=1,nmol + if (nint(bmol(k)) .eq. nint(amol(l))) + . append = 0 + enddo + if (append .eq. 1) then + nmol = nmol + 1 + amol(nmol) = bmol(k) + endif + append = 1 + enddo + endif + + +c*****do the general molecular equilibrium +101 call eqlib + + +c*****SPECIAL NEEDS: for NEWMARCS models, to convert kaprefs to our units + if (modtype .eq. 'NEWMARCS ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for KURUCZ models, to create the optical depth array, +c and to convert kaprefs to our units + elseif (modtype .eq. 'KURUCZ ') then + first = rhox(1)*kaprefmass(1) + tottau = rinteg(rhox,kaprefmass,tauref,ntau,first) + tauref(1) = first + do i=2,ntau + tauref(i) = tauref(i-1) + tauref(i) + enddo + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for NEXTGEN models, to convert kaprefs to our units + elseif (modtype .eq. 'NEXTGEN ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for BEGN models, to convert kaprefs to our units + elseif (modtype .eq. 'BEGN ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for KURTYPE models, to create internal kaprefs, +c and to compute taurefs from the kaprefs converted to mass units + elseif (modtype .eq. 'KURTYPE ') then + call opacit (1,wavref) + do i=1,ntau + kaprefmass(i) = kapref(i)/rho(i) + enddo + first = rhox(1)*kaprefmass(1) + tottau = rinteg(rhox,kaprefmass,tauref,ntau,first) + tauref(1) = first + do i=2,ntau + tauref(i) = tauref(i-1) + tauref(i) + enddo +c SPECIAL NEEDS: for NEWMARCS models, to convert kaprefs to our units + elseif (modtype .eq. 'KUR-PADOVA') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for generic models, to create internal kaprefs, + elseif (modtype .eq. 'GENERIC ' .or. + . modtype .eq. 'WEBMARCS ' .or. + . modtype .eq. 'WEB2MARC ') then + call opacit (1,wavref) + endif + + +c*****Convert from logarithmic optical depth scales, or vice versa. +c xref will contain the log of the tauref + if(tauref(1) .lt. 0.) then + do i=1,ntau + xref(i) = tauref(i) + tauref(i) = 10.0**xref(i) + enddo + else + do i=1,ntau + xref(i) = dlog10(tauref(i)) + enddo + endif + + +c*****Write information to output files + if (modprintopt .lt. 1) return + write (nf1out,1002) moditle + do i=1,ntau + dummy1(i) = dlog10(pgas(i)) + dummy2(i) = dlog10(ne(i)*1.38054d-16*t(i)) + enddo + write (nf1out,1003) wavref,(i,xref(i),tauref(i),t(i),dummy1(i), + . pgas(i),dummy2(i),ne(i),vturb(i),i=1,ntau) + write (nf1out,1004) + do i=1,95 + dummy1(i) = dlog10(xabund(i)) + 12.0 + enddo + write (nf1out,1005) (names(i),i,dummy1(i),i=1,95) + write (nf1out,1006) modprintopt, molopt, linprintopt, fluxintopt + write (nf1out,1007) (kapref(i),i=1,ntau) + return + + +c*****format statements +2001 format (a10) +2002 format (a80) +2003 format (6d13.0) +1001 format('permitted model types are:'/'KURUCZ, BEGN, ', + . 'KURTYPE, KUR-PADOVA, NEWMARCS, WEBMARCS, NEXTGEN, ', + . 'WEB2MARC, or GENERIC'/ 'MOOG quits!') +1002 format (/'MODEL ATMOSPHERE HEADER:'/a80/) +1003 format ('INPUT ATMOSPHERE QUANTITIES', 10x, + . '(reference wavelength =',f10.2,')'/3x, 'i', 2x, 'xref', + . 3x, 'tauref', 7x, 'T', 6x, 'logPg', 4x, 'Pgas', + . 6x, 'logPe', 5x, 'Ne', 9x, 'Vturb'/ + . (i4, 0pf6.2, 1pd11.4, 0pf9.1, f8.3, 1pd11.4, 0pf8.3, + . 1pd11.4, d11.2)) +1004 format (/'INPUT ABUNDANCES: (log10 number densities, log H=12)'/ + . ' Default solar abundances: Asplund et al. 2009') +1005 format (5(3x,a2, '(',i2,')=', f5.2)) +1006 format (/'OPTIONS: atmosphere = ', i1, 5x, 'molecules = ', i1/ + . ' lines = ', i1, 5x, 'flux/int = ', i1) +1007 format (/'KAPREF ARRAY:'/(6(1pd12.4))) +1008 format ('vt=', f5.2) +1009 format (' M/H=', f5.2) +1010 format (13('-'),'MOOG OUTPUT FILE', 10('-'), + . '(MOOG version NOV 2019)', 13('-')// + . 'THE MODEL TYPE: ', a10) +1011 format (' The Rosseland opacities and optical depths have ', + . 'been read in') +1012 format ('HOUSTON, WE HAVE MORE THAN 100 DEPTH POINTS! I QUIT!') + + + end + diff --git a/Inmodel.new b/Inmodel.new new file mode 100755 index 0000000..31e4337 --- /dev/null +++ b/Inmodel.new @@ -0,0 +1,524 @@ + + subroutine inmodel +c****************************************************************************** +c This subroutine reads in the model +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Quants.com' + include 'Factor.com' + include 'Dummy.com' + include 'Pstuff.com' + real*8 element(95), logepsilon(95) + real*8 kaprefmass(100) + real*8 bmol(110) + integer nel(7) + character list*80, list2*70 + integer append + data (nel(i),i=1,7)/ 1, 2, 6, 12, 13, 14, 26/ + + +c*****Read in the key word to define the model type + modelnum = modelnum + 1 + rewind nfmodel + read (nfmodel,2001) modtype + write (nf1out,1010) modtype + if (modtype .eq. 'begn ' .or. modtype .eq. 'BEGN ') + . write (nf1out,1011) + + +c*****Read a comment line (usually describing the model) + read (nfmodel,2002) moditle + + +c*****Read the number of depth points + read (nfmodel,2002) list + list2 = list(11:) + read (list2,*) ntau + if (ntau .gt. 100) then + write (array,1012) + call prinfo (10) + stop + endif + + +c*****EITHER: Read in a model from the output of the experimental new +c MARCS code. This modtype is called "NEWMARCS". On each line +c the numbers are: +c tau(5000), t, pe, pgas, rho, model microtrubulent velocity, +c and mean opacity (cm^2/gm) at the reference wavelength (5000A). + if (modtype .eq. 'NEWMARCS ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),ne(i),pgas(i),rho(i), + . vturb(1),kaprefmass(i) + enddo +c*****OR: Read in a model from the output of the on-line new +c MARCS code. This modtype is called "WEBMARCS". On each line +c the numbers are: +c layer number (not needed), log{tau(Rosseland)} (not needed), +c log{tau(5000)}, depth, t, pe, pgas, prad (not read in) and +c pturb (not read in) + elseif (modtype .eq. 'WEBMARCS') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) k, dummy1(k), tauref(i), dummy2(k), t(i), + . ne(i), pgas(i) + enddo +c*****OR: Read in a model from an alternative form of on-line new +c MARCS code. This modtype is called "WEB2MARC". On each line +c the numbers are: +c atmospheric layer number (not needed), log{tau(5000)}, t, +c log(Pe), log(Pgas), rhox + elseif (modtype .eq. 'WEB2MARC') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) k,tauref(i),t(i),ne(i),pgas(i),rhox(i) + enddo +c OR: Read in a model from the output of the ATLAS code. This +c modtype is called "KURUCZ". On each line the numbers are: +c rhox, t, pgas, ne, and Rosseland mean opacity (cm^2/gm), and +c two numbers not used by MOOG. + elseif (modtype .eq. 'KURUCZ ') then + do i=1,ntau + read (nfmodel,*) rhox(i),t(i),pgas(i),ne(i),kaprefmass(i) + enddo +c OR: Read in a model from the output of the NEXTGEN code. This +c modtype is called "NEXTGEN". These models have tau scaled at a +c specific wavelength that is read in before the model. MOOG will +c need to generate the opacities internally.On each line the numbers +c are: tau, t, pgas, pe, density, mean molecular weight, two numbers +c not used by MOOG, and Rosseland mean opacity (cm^2/gm). + elseif (modtype .eq. 'NEXTGEN ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i), rho(i), + . molweight(i), x2, x3, kaprefmass(i) + enddo +c OR: Read in a model from the output of the MARCS code. This modtype +c type is called "BEGN". On each line the numbers are: +c tauross, t, log(pg), log(pe), mol weight, and kappaross. + elseif (modtype .eq. 'BEGN ') then + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i), + . molweight(i), kaprefmass(i) + enddo +c OR: Read in a model generated from ATLAS, but without accompanying +c opacities. MOOG will need to generate the opacities internally, +c using a reference wavelength that it reads in before the model. + elseif (modtype .eq. 'KURTYPE') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) rhox(i),t(i),pgas(i),ne(i) + enddo +c OR: Read in a model generated from ATLAS, with output generated +c in Padova. The columns are in somewhat different order than normal + elseif (modtype .eq. 'KUR-PADOVA') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),kaprefmass(i), + . ne(i),pgas(i),rho(i) + enddo +c OR: Read in a generic model that has a tau scale at a specific +c wavelength that is read in before the model. +c MOOG will need to generate the opacities internally. + elseif (modtype .eq. 'GENERIC ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i) + enddo +c OR: quit in utter confusion if those model types are not specified + else + write (*,1001) + stop + endif + + +c*****Compute other convenient forms of the temperatures + do i=1,ntau + theta(i) = 5040./t(i) + tkev(i) = 8.6171d-5*t(i) + tlog(i) = dlog(t(i)) + enddo + + +c*****Convert from logarithmic Pgas scales, if needed + if (pgas(ntau)/pgas(1) .lt. 10.) then + do i=1,ntau + pgas(i) = 10.0**pgas(i) + enddo + endif + + +c*****Convert from logarithmic Ne scales, if needed + if(ne(ntau)/ne(1) .lt. 20.) then + do i=1,ntau + ne(i) = 10.0**ne(i) + enddo + endif + + +c*****Convert from Pe to Ne, if needed + if(ne(ntau) .lt. 1.0e7) then + do i=1,ntau + ne(i) = ne(i)/1.38065d-16/t(i) + enddo + endif + + +c*****compute the atomic partition functions + do j=1,95 + elem(j) = dble(j) + call partfn (elem(j),j) + enddo + + +c*****Read the microturbulence (either a single value to apply to +c all layers, or a value for each of the ntau layers). +c Conversion to cm/sec from km/sec is done if needed + read (nfmodel,2003) (vturb(i),i=1,6) + if (vturb(2) .ne. 0.) then + read (nfmodel,2003) (vturb(i),i=7,ntau) + else + do i=2,ntau + vturb(i) = vturb(1) + enddo + endif + if (vturb(1) .lt. 100.) then + write (moditle(55:62),1008) vturb(1) + do i=1,ntau + vturb(i) = 1.0e5*vturb(i) + enddo + else + write (moditle(55:62),1008) vturb(1)/1.0e5 + endif + + +c*****Read in the abundance data, storing the original abundances in xabu +c*****The abundances not read in explicity are taken from the default +c*****solar ones contained in array xsolar. + read (nfmodel,2002) list + list2 = list(11:) + read (list2,*) natoms,abscale + write (moditle(63:73),1009) abscale + if(natoms .ne. 0) + . read (nfmodel,*) (element(i),logepsilon(i),i=1,natoms) + xhyd = 10.0**xsolar(1) + xabund(1) = 1.0 + xabund(2) = 10.0**xsolar(2)/xhyd + do i=3,95 + xabund(i) = 10.0**(xsolar(i)+abscale)/xhyd + xabu(i) = xabund(i) + enddo + if (natoms .ne. 0) then + do i=1,natoms + xabund(idint(element(i))) = 10.0**logepsilon(i)/xhyd + xabu(idint(element(i))) = 10.0**logepsilon(i)/xhyd + enddo + endif + +c*****Compute the mean molecular weight, ignoring molecule formation +c in this approximation (maybe make more general some day?) + wtnum = 0. + wtden = 0. + do i=1,95 + wtnum = wtnum + xabund(i)*xam(i) + wtden = wtden + xabund(i) + enddo + wtmol = wtnum/(xam(1)*wtden) + nomolweight = 0 + if (modtype .eq. 'BEGN ' .or. modtype .eq. 'NEXTGEN ') then + nomolweight = 1 + endif + if (nomolweight .ne. 1) then + do i=1,ntau + molweight(i) = wtmol + enddo + endif + +c*****Compute the density + if (modtype .ne. 'NEXTGEN ') then + do i=1,ntau + rho(i) = pgas(i)*molweight(i)*1.6606d-24/(1.38065d-16*t(i)) + enddo + endif + + +c*****Calculate the fictitious number density of hydrogen +c Note: ph = (-b1 + dsqrt(b1*b1 - 4.0*a1*c1))/(2.0*a1) + iatom = 1 + call partfn (dble(iatom),iatom) + do i=1,ntau + th = 5040.0/t(i) + ah2 = 10.0**(-(12.7422+(-5.1137+(0.1145-0.0091*th)*th)*th)) + a1 = (1.0+2.0*xabund(2))*ah2 + b1 = 1.0 + xabund(2) + c1 = -pgas(i) + ph = (-b1/2.0/a1)+dsqrt((b1**2/(4.0*a1*a1))-(c1/a1)) + nhtot(i) = (ph+2.0*ph*ph*ah2)/(6666665d-16*t(i)) + enddo + + +c*****Molecular equilibrium called here. +c First, a default list of ions and molecules is considered. Then the +c user's list is read in. A check is performed to see if any of these +c species need to be added. If so, then they are appended to the +c default list. The molecular equilibrium routine is then called. +c Certain species are important for continuous opacities and damping +c calculations - these are read from the equilibrium solution and +c saved. + + +c*****Set up the default molecule list + if (molset .eq. 0) then + nmol = 14 + else + nmol = 58 + endif + if (molset .eq. 0) then + do i=1,110 + amol(i) = smallmollist(i) + enddo + elseif (molset .eq. 1) then + do i=1,110 + amol(i) = largemollist(i) + enddo + else + array = 'molset = 0 or 1 only; I quit!' + call putasci (29,6) + stop + endif + + +c*****Read in the names of additional molecules to be used in +c molecular equilibrium if needed. + read (nfmodel,2002,end=101) list + list2 = list(11:) + read (list2,*) moremol + if (moremol .ne. 0) then + read (nfmodel,*) (bmol(i),i=1,moremol) + append = 1 + do k=1,moremol + do l=1,nmol + if (nint(bmol(k)) .eq. nint(amol(l))) + . append = 0 + enddo + if (append .eq. 1) then + nmol = nmol + 1 + amol(nmol) = bmol(k) + endif + append = 1 + enddo + endif + + +c*****do the general molecular equilibrium +101 call eqlib + + +c*****save the H_2O and CO_2 results in special number density arrays + do jmol=1,nmol + if (nint(amol(jmol)) .eq. 10108) then + do i=1,ntau + xnh2o(i) = xmol(jmol,i) + enddo + elseif (nint(amol(jmol)) .eq. 60808) then + do i=1,ntau + xnco2(i) = xmol(jmol,i) + enddo + endif + enddo + write (*,444) (amol(n),n=1,nmol) +444 format ('amol'/(7f10.1)) + write (*,445) (xmol(n, 1),n=1,nmol) +445 format ('xmol'/(7(1pg10.2))) + write (*,446) (iorder(n),n=1,neq) +446 format ('iorder'/(7i10)) + write (*,447) (xatom(n),n=1,neq) +447 format ('xatom'/(7(1pg10.2))) + write (*,448) (xamol(n, 1),n=1,neq) +448 format ('xamol'/(7(1pg10.2))) + + +c In the number density array "numdens", the elements denoted by +c the first subscripts are named in at the ends of the assignment +c lines; at present these are the only ones needed for continuous +c opacities +c the desired elements are H, He, C, Mg, Al, Si, Fe, along +c with the H_2 molecule + do j=1,7 + do k=1,neq + if (nel(j) .eq. iorder(k)) then + do i=1,ntau + numdens(j,1,i) = xamol(k,i) + enddo + write (*,555) j, k, nel(j), iorder(k), + . (numdens(j,1,i),i=1,ntau) +555 format (4i6/(1p10d10.1)) + exit + endif + enddo + ispec10 = nint(dble(10*nel(j)+1)) + do k=1,nmol + if (ispec10 .eq. nint(10.*amol(k))) then + do i=1,ntau + numdens(j,2,i) = xmol(k,i) + enddo + write (*,555) j, k, nel(j), iorder(k), + . (numdens(j,2,i),i=1,ntau) + exit + endif + enddo + enddo + do k=1,nmol + ispec = 101 + if (ispec .eq. nint(amol(k))) then + do i=1,ntau + numdens(8,1,i) = xmol(k,i) + enddo + exit + endif + enddo +c numdens(1,2,i) = xmol(1,i) H II +c numdens(2,1,i) = xamol(2,i) He I +c numdens(2,2,i) = xmol(2,i) Hi II +c numdens(3,1,i) = xamol(3,i) C I +c numdens(3,2,i) = xmol(3,i) C II +c numdens(4,1,i) = xamol(6,i) Mg I +c numdens(4,2,i) = xmol(6,i) Mg II +c numdens(5,1,i) = xamol(7,i) Al I +c numdens(5,2,i) = xmol(7,i) Al II +c numdens(6,1,i) = xamol(8,i) Si I +c numdens(6,2,i) = xmol(8,i) Si II +c numdens(7,1,i) = xamol(16,i) Fe I +c numdens(7,2,i) = xmol(16,i) Fe II +c numdens(8,1,i) = xmol(17,i) H_2 + write (*,449) (numdens(1,1,i),i=1,ntau) +449 format ('numdens111'/(1p7d10.1)) +c write (*,447) ((numdens(k,2,i),k=1,8),i=1,ntau) + pause + + + + +c*****SPECIAL NEEDS: for NEWMARCS models, to convert kaprefs to our units + if (modtype .eq. 'NEWMARCS ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for KURUCZ models, to create the optical depth array, +c and to convert kaprefs to our units + elseif (modtype .eq. 'KURUCZ ') then + first = rhox(1)*kaprefmass(1) + tottau = rinteg(rhox,kaprefmass,tauref,ntau,first) + tauref(1) = first + do i=2,ntau + tauref(i) = tauref(i-1) + tauref(i) + enddo + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for NEXTGEN models, to convert kaprefs to our units + elseif (modtype .eq. 'NEXTGEN ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for BEGN models, to convert kaprefs to our units + elseif (modtype .eq. 'BEGN ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for KURTYPE models, to create internal kaprefs, +c and to compute taurefs from the kaprefs converted to mass units + elseif (modtype .eq. 'KURTYPE ') then + call opacit (1,wavref) + do i=1,ntau + kaprefmass(i) = kapref(i)/rho(i) + enddo + first = rhox(1)*kaprefmass(1) + tottau = rinteg(rhox,kaprefmass,tauref,ntau,first) + tauref(1) = first + do i=2,ntau + tauref(i) = tauref(i-1) + tauref(i) + enddo +c SPECIAL NEEDS: for NEWMARCS models, to convert kaprefs to our units + elseif (modtype .eq. 'KUR-PADOVA') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for generic models, to create internal kaprefs, + elseif (modtype .eq. 'GENERIC ' .or. + . modtype .eq. 'WEBMARCS ' .or. + . modtype .eq. 'WEB2MARC ') then + call opacit (1,wavref) + endif + + +c*****Convert from logarithmic optical depth scales, or vice versa. +c xref will contain the log of the tauref + if(tauref(1) .lt. 0.) then + do i=1,ntau + xref(i) = tauref(i) + tauref(i) = 10.0**xref(i) + enddo + else + do i=1,ntau + xref(i) = dlog10(tauref(i)) + enddo + endif + + +c*****Write information to output files + if (modprintopt .lt. 1) return + write (nf1out,1002) moditle + do i=1,ntau + dummy1(i) = dlog10(pgas(i)) + dummy2(i) = dlog10(ne(i)*1.38065d-16*t(i)) + enddo + write (nf1out,1003) wavref,(i,xref(i),tauref(i),t(i),dummy1(i), + . pgas(i),dummy2(i),ne(i),vturb(i),i=1,ntau) + write (nf1out,1004) + do i=1,95 + dummy1(i) = dlog10(xabund(i)) + 12.0 + enddo + write (nf1out,1005) (names(i),i,dummy1(i),i=1,95) + write (nf1out,1006) modprintopt, molopt, linprintopt, fluxintopt + write (nf1out,1007) (kapref(i),i=1,ntau) + return + + +c*****format statements +2001 format (a10) +2002 format (a80) +2003 format (6d13.0) +1001 format('permitted model types are:'/'KURUCZ, BEGN, ', + . 'KURTYPE, KUR-PADOVA, NEWMARCS, WEBMARCS, NEXTGEN, ', + . 'WEB2MARC, or GENERIC'/ 'MOOG quits!') +1002 format (/'MODEL ATMOSPHERE HEADER:'/a80/) +1003 format ('INPUT ATMOSPHERE QUANTITIES', 10x, + . '(reference wavelength =',f10.2,')'/3x, 'i', 2x, 'xref', + . 3x, 'tauref', 7x, 'T', 6x, 'logPg', 4x, 'Pgas', + . 6x, 'logPe', 5x, 'Ne', 9x, 'Vturb'/ + . (i4, 0pf6.2, 1pd11.4, 0pf9.1, f8.3, 1pd11.4, 0pf8.3, + . 1pd11.4, d11.2)) +1004 format (/'INPUT ABUNDANCES: (log10 number densities, log H=12)'/ + . ' Default solar abundances: Asplund et al. 2009') +1005 format (5(3x,a2, '(',i2,')=', f5.2)) +1006 format (/'OPTIONS: atmosphere = ', i1, 5x, 'molecules = ', i1/ + . ' lines = ', i1, 5x, 'flux/int = ', i1) +1007 format (/'KAPREF ARRAY:'/(6(1pd12.4))) +1008 format ('vt=', f5.2) +1009 format (' M/H=', f5.2) +1010 format (13('-'),'MOOG OUTPUT FILE', 10('-'), + . '(MOOG version from 01/28/09)', 13('-')// + . 'THE MODEL TYPE: ', a10) +1011 format (' The Rosseland opacities and optical depths have ', + . 'been read in') +1012 format ('HOUSTON, WE HAVE MORE THAN 100 DEPTH POINTS! I QUIT!') + + + end + diff --git a/Invert.f b/Invert.f new file mode 100755 index 0000000..5bc5348 --- /dev/null +++ b/Invert.f @@ -0,0 +1,92 @@ + + subroutine invert(order,a,i,nsiz) +c****************************************************************************** +c This routine inverts an *order,order* matrix *a*. answer is *i* +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + integer order, orde + real*8 a(nsiz,nsiz), i(nsiz,nsiz) + + + do n=1,order + do m=1,order + i(m,n) = 0.0 + enddo + enddo + do j=1,order + i(j,j) = 1.0 + enddo + orde=order-1 + do k=1,orde + kk = k+1 + do j=kk,order + i(j,k) = 0.0 + i(k,j) = 0.0 + enddo + enddo + +c here begins the inversion + do n=1,order + if (n .eq. order) go to 244 + g = a(n,n) + n1 = n+1 + ng = n + do m=n1,order + f = a(m,n) + if (f .gt. g) then + g = f + ng = m + endif + enddo + if (ng .eq. n) go to 244 + do k=1,order + d = i(n,k) + e = i(ng,k) + f = a(n,k) + g = a(ng,k) + i(ng,k) = d + i(n,k) = e + a(ng,k) = f + a(n,k) = g + enddo +244 g = a(n,n) + if (g .eq. 0.0) then + write (nf1out,1001) + return + endif + do k=1,order + a(n,k) = a(n,k)/g + i(n,k) = i(n,k)/g + enddo + if (n .eq. order) go to 27 + do k=n1,order + f = -a(k,n) + do j=1,order + a(k,j) = a(k,j) + f*a(n,j) + i(k,j) = i(k,j)+f*i(n,j) + enddo + enddo + enddo + +27 do jk=1,orde + n = order - jk + 1 + do j=jk,orde + m = order - j + f = -a(m,n) + do k=1,order + a(m,k) = a(m,k) + f*a(n,k) + i(m,k) = i(m,k) + f*i(n,k) + enddo + enddo + enddo + return + + +c*****format statements +1001 format('WARNING: AN UN-INVERTABLE ARRAY HAS BEEN ENCOUNTERED!') + + end + + diff --git a/Jexpint.f b/Jexpint.f new file mode 100755 index 0000000..d67f00d --- /dev/null +++ b/Jexpint.f @@ -0,0 +1,103 @@ + + real*8 function expint(x,n) +c****************************************************************************** +c This routine computes the n'th exponential integral of x +c ******* notice limits on x for this program!!! ****** +c input - x, independent variable (-100. .le. x .le. +100.) +c n, order of desired exponential integral (1 .le. n .le. 8) +c output - expint, the desired result +c jd does not output ex to save moog call re-write +c rex, expf(-x) +c jd +c note returns with e1(0)=0, (not infinity). +c based on the share routine nuexpi, written by j. w. cooley, +c courant institute of mathematical sciences, new york university +c obtained from rudolf loeser +c general compilation of 1 august 1967. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*8 tab(20),xint(7) + data xint/1.,2.,3.,4.,5.,6.,7./ + data tab / .2707662555,.2131473101,.1746297218,.1477309984, + 1.1280843565,.1131470205,.1014028126,.0919145454,.0840790292, + 1.0774922515,.0718735405,.0670215610,.0627878642,.0590604044, + 1.0557529077,.0527977953,.0501413386,.0477402600,.0455592945, + 1.0435694088/ + data xsave /0./ +c + if (x.ge.100.) goto 800 + if (x.le.-100.) goto 800 + xu=x + if(xu)603,602,603 + 602 rex=1.d+00 + if(n-1)800,800,801 + 800 expint=0. + goto 777 + 801 expint=1./xint(n-1) + goto 777 + 603 if(xu-xsave)604,503,604 + 604 xsave=xu + xm=-xu + emx = dexp(xm) +c +c select method for computing ei(xm) +c + if(xm-24.5)501,400,400 + 501 if(xm-5.)502,300,300 + 502 if(xm+1.)100,200,200 + 503 eisave=-arg + exsave=emx +c +c now recurse to higher orders +c + if(n-1)507,507,505 + 505 do 506 i=2,n + eisave=(xu*eisave-exsave)/(-xint(i-1)) + 506 continue + 507 expint=eisave + rex=exsave + 777 return +c +c ei(xm) for xm .lt. -1.0 +c hastings polynomial approximation +c + 100 arg=((((((xu+8.573328740 )*xu+18.05901697 )*xu+8.634760893 )*xu + *+.2677737343)/xm)*emx)/((((xu+9.573322345 )*xu+25.63295615 )*xu + *+21.09965308 )*xu+3.958496923 ) + goto 503 +c ei(xm) for -1. .le. xm .lt. 5.0 +c power series expansion about zero + 200 arg=dlog(abs(xm)) + arg=((((((((((((((((.41159050d-14*xm+.71745406d-13)*xm+.76404637d- + *12)*xm+.11395905d-10)*xm+.17540077d-9)*xm+.23002666d-8)*xm+.275360 + *18d-7)*xm+.30588626d-6)*xm+.31003842d-5)*xm+.28346991d-4)*xm+.2314 + *8057d-3)*xm+.0016666574)*xm+.010416668)*xm+.055555572)*xm+.25)*xm+ + *.99999999)*xm+.57721566)+arg + goto 503 +c +c ei(xm) for 5.0 .le. xm .lt. 24.5 +c table look-up and interpolation +c + 300 i=xm+.5 + xzero=i + xdelta=xzero-xm + arg=tab(i-4) + if(xdelta)303,305,303 + 303 y=arg + deltax=xdelta/xzero + power=1./deltax + do 304 i=1,7 + power=power*deltax + y=((y-power/xzero)*xdelta)/xint(i) + arg=arg+y + if(abs(y/arg)-1.d-8)305,304,304 + 304 continue + 305 arg=emx*arg + goto 503 +c ei(xm) for 24.5 .le. xm +c truncated continued fraction + 400 arg=((((xm-15.)*xm+58.)*xm-50.)*emx)/((((xm-16.)*xm+72.)*xm-96.) + **xm+24.) + goto 503 + end diff --git a/Kappa.com b/Kappa.com new file mode 100755 index 0000000..8b3d923 --- /dev/null +++ b/Kappa.com @@ -0,0 +1,23 @@ + +c****************************************************************************** +c this common block holds the internally-stored arrays for continuous +c opacity calculations +c****************************************************************************** + + real*8 aH1(100), aHminus(100) + real*8 aHeminus(100) + real*8 sigel(100), sigH(100), sigH2(100), sigHe(100) + real*8 aC1(100), aMg1(100), aMg2(100), aAl1(100), aSi1(100), + . aSi2(100), aFe1(100) + real*8 evhkt(100) + real*8 freq, freqlg + + common/kappa/aH1, aHminus, + . aHeminus, + . sigel, sigH, sigH2, sigHe, + . aC1, aMg1, aMg2, aAl1, aSi1, + . aSi2, aFe1, + . evhkt, + . freq, freqlg + + diff --git a/Lineabund.f b/Lineabund.f new file mode 100755 index 0000000..9c709ea --- /dev/null +++ b/Lineabund.f @@ -0,0 +1,103 @@ + + subroutine lineabund (abundin) +c****************************************************************************** +c This routine iteratively determines the abundance for a single line; +c for ease and speed of computation the actual changes are done to +c gf-values, and then at the end the adjustment is made to input +c abundance by the amount that the gf had to be changed +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + + + lim2 = lim1 + ncurve = 1 + + +c*****find the c-o-g gf that matches the observed RW + gf1(ncurve) = gf(lim1) + rwlgobs = dlog10(width(lim1)/wave1(lim1)) + gfobs = gftab(ntabtot) + do i=2,ntabtot + if (rwtab(i) .gt. rwlgobs) then + gfobs = gftab(i-1) + (gftab(i)-gftab(i-1))* + . (rwlgobs-rwtab(i-1))/(rwtab(i)-rwtab(i-1)) + go to 15 + endif + enddo + + +c*****using the current gf, compute a line and find the c-o-g gf that matches +c*****the computed RW +15 call oneline (1) + rwlgcal = dlog10(w(ncurve)/wave1(lim1)) + gfcal = gftab(ntabtot) + do i=2,ntabtot + if (rwtab(i) .gt. rwlgcal) then + gfcal = gftab(i-1) + (gftab(i)-gftab(i-1))* + . (rwlgcal-rwtab(i-1))/(rwtab(i)-rwtab(i-1)) + go to 20 + endif + enddo + + +c*****are the observed and computed RWs too different? if so, iterate +c*****by adjusting the assumed gf, and recompute the line. +c*****for strong lines, the iterations are slowed down by using the +c*****square root of the proposed gf shift. +20 error = (w(ncurve)-width(lim1))/width(lim1) + ratio = 10.**(gfobs-gfcal) + ncurve = ncurve + 1 + if (dabs(error) .ge. 0.0015 .and. ncurve .lt. 20) then + rwlcomp = dlog10(w(ncurve-1)/wave1(lim1)) + if (rwlcomp .gt. -4.7) then + gf1(ncurve) = gf1(ncurve-1)*dsqrt(ratio) + do i=1,ntau + kapnu0(lim1,i) = kapnu0(lim1,i)*dsqrt(ratio) + enddo + else + gf1(ncurve) = gf1(ncurve-1)*ratio + do i=1,ntau + kapnu0(lim1,i) = kapnu0(lim1,i)*ratio + enddo + endif + go to 15 + endif + + +c*****if the observed and computed RWs are close, do a final gf adjustment +c*****and finish with one more line recomputation + if (ncurve .eq. 30) then + write (nf1out,1001) + write (nf2out,1001) + endif + gf1(ncurve) = gf1(ncurve-1)*ratio + do i=1,ntau + kapnu0(lim1,i) = kapnu0(lim1,i)*ratio + enddo + call oneline (2) + widout(lim1) = w(ncurve) + wid1comp(lim1) = w(1) + diff = dlog10(gf1(ncurve)/gf(lim1)) + abundout(lim1) = abundin + diff + if (ncurve .ne. 1) then + write (nf1out,1002) ncurve + endif + + + return + + +c*****format statements +1001 format ('OH NO! ANOTHER FAILED ITERATION!') +1002 format (' This fit required ',i2,' iterations including ', + . 'a final small adjustment'/) + + + end + + diff --git a/Lineinfo.f b/Lineinfo.f new file mode 100755 index 0000000..bf5a420 --- /dev/null +++ b/Lineinfo.f @@ -0,0 +1,356 @@ + + subroutine lineinfo (number) +c****************************************************************************** +c This routine is an output subroutine for things having to do with +c lines. +c number = 1 gives input line data information +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Dummy.com' + include 'Factor.com' + include 'Pstuff.com' + include 'Quants.com' + real*8 loggf, logstrength + integer ifresh + character*8 molname + character*4 ion(3) + character*1 name*1 + data ifresh /0/ + data ion/' I ', ' II ', ' III'/ + + + go to (1,2,3), number + + +c*****here the line data are output to "standard_out"; all relevant +c drivers use this +c if you don't want any line output, linprintopt=0 will exit the routine + +1 if (linprintopt .lt. 1) return + +c if you want standard output, linprintopt=1 is chosen +c linprintopt>=2 outputs ionization potentials, charges, masses, +c reduced masses for molecules, +c linprintopt>=3 outputs partition functions +c lineprintop =4 outputs line-center opacities + write (nf1out,1001) nlines + if (linprintopt .ge. 2) write (nf1out,1002) + do j=1,nlines + ich = idint(charge(j) + 0.1) + iatom = idint(atom1(j)) + loggf = dlog10(gf(j)) + logstrength = dlog10(strength(j)) + if (iatom .lt. 100) then + if (iunits .eq. 1) then + write (nf1out,1003) j, 1.d-4*wave1(j), names(iatom), + . ion(ich), atom1(j), e(j,1), loggf, damptype(j), + . logstrength, 1000.*width(j) + else + write (nf1out,1004) j, wave1(j), names(iatom), + . ion(ich), atom1(j), e(j,1), loggf, damptype(j), + . logstrength, 1000.*width(j) + endif + if (linprintopt .ge. 2) write (nf1out,1005) + . (chi(j,k),k=1,3), charge(j), amass(j), rdmass(j) + elseif (iatom .lt. 10000) then + call sunder (atom1(j),i1,i2) + if (i1 .eq. 1) then + l = i1 + i1 = i2 + i2 = l + endif + leftovr = idint(10000.*(atom1(j)-iatom)+0.1) + if (i1 .lt. 10) then + read (names(i1),1006) name + write (molname,1007) name,names(i2),leftovr + else + write (molname,1008) names(i1),names(i2),leftovr + endif + if (iunits .eq. 1) then + write (nf1out,1009) j, 1.d-4*wave1(j), molname, + . atom1(j), e(j,1), loggf, damptype(j), + . logstrength, 1000.*width(j) + else + write (nf1out,1010) j, wave1(j), molname, + . atom1(j), e(j,1), loggf, damptype(j), + . logstrength, 1000.*width(j) + endif + if (linprintopt .ge. 2) + . write (nf1out,1005) + . d0(j), (chi(j,k),k=1,2), charge(j), amass(j), + . rdmass(j) + elseif (iatom .lt. 1000000) then + call sunder (atom1(j),i1,i2) + xia = dble(i2) + call sunder (xia,i2,i3) + if (iatom .eq. 10108) then + molname = 'H_2O ' + else + molname = 'CO_2 ' + endif + if (iunits .eq. 1) then + write (nf1out,1009) j, 1.d-4*wave1(j), molname, + . atom1(j), e(j,1), loggf, damptype(j), + . logstrength, 1000.*width(j) + else + write (nf1out,1010) j, wave1(j), molname, + . atom1(j), e(j,1), loggf, damptype(j), + . logstrength, 1000.*width(j) + endif + if (linprintopt .ge. 2) + . write (nf1out,1005) + . d0(j), (chi(j,k),k=1,2), charge(j), amass(j), + . rdmass(j) + endif + enddo + if (start.ne.0.0 .or. sstop.ne.0.0) then + if (iunits .eq. 1) then + write (nf1out,1011) oldstart,oldstop,oldstep,olddelta + else + write (nf1out,1012) start,sstop,step,delta + endif + if (rwlow .ne. 0.) write (nf1out,1013) rwlow, rwhigh, rwstep + endif + if (linprintopt .ge. 3) then + write (nf1out,1014) + do j=1,95 + if (elem(j) .ne. 0.) then + iatom = int(elem(j)) + write (nf1out,1015) iatom, names(iatom), xam(j), + . xchi1(j), xchi2(j), xchi3(j) + do k=1,4 + write (nf1out,1016) k-1,(u(j,k,i),i=1,ntau) + enddo + endif + enddo + endif + if (linprintopt .ge. 4) then + write (nf1out,1001) + do j=1,nlines + write (nf1out,1002) j,(kapnu0(j,i),i=1,ntau) + enddo + endif + return + + +c*****here the STRONG line data are output; MOOG assumes that no +c molecular line can possibly be in this category +2 write (nf1out,2001) nstrong + do j=nlines+1,nlines+nstrong + ich = idint(charge(j) + 0.1) + iatom = idint(atom1(j)) + loggf = dlog10(gf(j)) + logstrength = dlog10(strength(j)) + if (iatom .lt. 100) then + if (iunits .eq. 1) then + write (nf1out,1003) j-nlines,1.d-4*wave1(j),names(iatom), + . ion(ich), atom1(j), e(j,1), loggf, + . damptype(j), logstrength + else + write (nf1out,1004) j-nlines, wave1(j),names(iatom), + . ion(ich), atom1(j), e(j,1), loggf, + . damptype(j), logstrength + endif + else + write (*,2004) iatom + stop + endif + enddo + printstrong = 1 + return + + +c*****results of force-fitting EW to yield abundances are output here +c look here also for the calls to the trend line calculations +3 if (ifresh .eq.0) then + write (nf2out,3001) linitle,moditle + ifresh = 1 + endif + if (cogatom .eq. 0.) then + iatom = iabatom + else + iatom = idint(cogatom) + endif + xab = dlog10(xabund(iatom)) + 12. + ich = idint(charge(lim1obs) + 0.1) + if (atom1(lim1obs) .lt. 100.) then + write (array,3002) names(iatom), ion(ich) ,xab + line = 1 + call prinfo (line) + write (nf2out,*) + write (nf2out,3002) names(iatom), ion(ich), xab + write (array,3003) + line = 2 + call prinfo (line) + write (nf2out,3003) + else + call sunder (atom1(lim1obs),ia,ib) + if (ia .eq. 1) then + l = ia + ia = ib + ib = l + endif + leftovr = idint(10000.*(atom1(lim1obs)-iatom)+0.1) + if (ia .lt. 10) then + read (names(ia),1006) name + write (molname,1007) name,names(ib) + else + write (molname,1008) names(ia),names(ib) + endif + write (array,3004) molname,xab + line = 1 + call prinfo (line) + write (nf2out,*) + write (nf2out,3004) molname,xab + write (array,3005) names(iabatom) + line = 2 + call prinfo (line) + write (nf2out,3005) names(iabatom) + write (array,3006) + line = 3 + call prinfo (line) + write (nf2out,3006) + endif + do l=lim1obs,lim2obs + if (abundout(l) .ne. 999.99) then + diff = abundout(l) - average + else + diff = 999.99 + endif + ew = 1000.*width(l) + rw = dlog10(width(l)/wave1(l)) + loggf = dlog10(gf(l)) + write (array,3007) wave1(l), atom1(l), e(l,1), loggf, + . ew, rw, abundout(l), diff + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,3007) wave1(l), atom1(l), e(l,1), loggf, + . ew, rw, abundout(l), diff + enddo + write (array,3008) average, deviate, kount + line = line + 1 + if (errmess(1:9) .ne. 'stopinfo!') call prinfo (line) + write (nf2out,3008) average, deviate, kount + if (kount .gt. 2 .and. deltaep .gt. 1.5) then + write (array,3009) xxm1, xxb1, xxr1 + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,3009) xxm1, xxb1, xxr1 + else + write (array,*) 'No statistics done for E.P. trends' + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,*) 'No statistics done for E.P. trends' + endif + if (kount .gt. 2 .and. deltarw .gt. 0.5) then + write (array,3010) xxm2, xxb2, xxr2 + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,3010) xxm2, xxb2, xxr2 + else + write (array,*) 'No statistics done for R.W. trends' + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,*) 'No statistics done for R.W. trends' + endif + if (kount .gt. 2 .and. deltawv .gt. 500.) then + write (array,3011) xxm3, xxb3, xxr3 + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,3011) xxm3, xxb3, xxr3 + else + write (array,*) 'No statistics done for wavelength trends' + if (errmess(1:9) .ne. 'stopinfo!') then + line = line + 1 + call prinfo (line) + endif + write (nf2out,*) 'No statistics done for wavelength trends' + endif + return + + +c*****format statements +1001 format (/'INPUT LINES DATA FOR ' ,i5, ' LINES'/ + . ' #', 5x, 'wave1', 3x, 'spec', 9x, 'spec#', + . 3x, 'E.P.', 3x, 'loggf', 5x, 'damp', 4x, 'logSTR', + . 5x, 'E.W.') +1002 format (20x, 6x, 'chi1', 4x, 'chi2', 6x, 'chi3', 4x, 'charge', + . 6x, 'mass', 4x, 'rdmass') +1003 format (i4, f10.6, 2x, a2, a4, f13.5, f7.3, f8.3, 2x, a7, + . f9.1, f9.2) +1004 format (i4, f10.3, 2x, a2, a4, f13.5, f7.3, f8.3, 2x, a7, + . f10.2, f8.2) +1005 format (20x, f10.3, f8.3, f10.3, f10.1, f10.2, f10.4) +1006 format (a1) +1007 format (1x,a1,a2,i4) +1008 format (2a2,i4) +1009 format (i4, f10.6, 3x, a4, 1x, f13.5, f7.3, f8.3, 2x, a7, + . f10.2, f8.2) +1010 format (i4, f10.3, 3x, a4, 1x, f13.5, f7.3, f8.3, 2x, a7, + . f10.2, f8.2) +1011 format (/'SYNTHETIC SPECTRUM PARAMETERS (units=1/cm)'/ + . 10x,'start =',f11.3,' ',5x,'stop =',f11.3,' '/ + . 'step size in the spectrum =',f11.4,' '/ + . 'at each point, opacity will include lines' , + . ' within',f11.4,' of the point') +1012 format (/'SYNTHETIC SPECTRUM PARAMETERS (units=A)'/ + . 10x,'start =',f11.3,' ',5x,'stop =',f11.3,' '/ + . 'step size in the spectrum =',f11.3,' '/ + . 'at each point, opacity will include lines' , + . ' within',f11.3,' of the point') +1013 format (/'CURVE-OF-GROWTH PARAMETERS'/ + . 10x,'log(R.W) lower bound =',f7.3, + . 10x,'upper bound =',f7.3/ + . 10x,'step size in the curve =',f7.3) +1014 format (/'PARTITION FUNCTIONS') +1015 format (/'Z =',i2,' (',a2,'), mass=',f8.3,' I.P.s=', 3f7.3) +1016 format (' ionization state = ',i1/(10f8.3)) +2001 format (/'INPUT LINES DATA FOR',i4,' STRONG LINES'/ + . ' #', 5x, 'wave1', 3x, 'spec', 9x, 'spec#', + . 3x, 'E.P.', 3x, 'loggf', 5x, 'damp', 4x, 'logSTR') +2004 format ('SPECIES = ', i5, ' IS A MOLECULE, NOT ALLOWED AS A ', + . 'STRONG LINE; I QUIT!') +3001 format (a80) +3002 format ('Abundance Results for Species ',a2,a4, + . ' (input abundance = ',f7.3,')') +3003 format ('wavelength', 9x, 'ID', 6x, 'EP', 3x, 'logGF', 5x, 'EWin', + . 3x, 'logRWin', 5x, 'abund', 3x, 'delavg') +3004 format ('Abundance Results for Species ',a8, + . ' (input abundance = ',f6.2,')') +3005 format ('From these data, the abundance of ',a2, + . ' will be altered') +3006 format ('wavelength', 9x, 'ID', 6x, 'EP', 3x, 'logGF', 5x, 'EWin', + . 3x, 'logRWin', 5x, 'abund', 3x, 'delavg') +3007 format (f10.3, f11.5, f8.3, f8.3, f9.2, f10.3, f10.3, f9.3) +3008 format ('average abundance = ',f6.3,' std. ', + . 'deviation = ',f6.3,' #lines = ',i3) +3009 format ('E.P. correlation: slope = ',f7.3,' intercept = ', + . f7.3,' corr. coeff. = ',f7.3) +3010 format ('R.W. correlation: slope = ',f7.3,' intercept = ', + . f7.3,' corr. coeff. = ',f7.3) +3011 format ('wav. correl.: slope = ',1pd11.3,' intercept = ', + . 0pf7.3,' corr. coeff. = ',f7.3) + + + + return + end + + + diff --git a/Linex.com b/Linex.com new file mode 100755 index 0000000..44aaf0e --- /dev/null +++ b/Linex.com @@ -0,0 +1,52 @@ + +c****************************************************************************** +c this common block has variables related to the lines. Most +c input quantities typically have single dimensions, while the +c things that are computed for each line at each atmosphere level +c have double dimensions. The variables "a", "dopp", and +c "kapnu0" are often over-written with plotting data, +c so leave them alone or suffer unspeakable programming tortures. +c****************************************************************************** + + real*8 a(2500,100), dopp(2500,100), kapnu0(2500,100) + real*8 gf(2500), wave1(2500), atom1(2500), e(2500,2), + . chi(2500,3), amass(2500), charge(2500), d0(2500), + . dampnum(2500), gf1(2500), width(2500), + . abundout(2500), widout(2500), strength(2500), + . rdmass(2500), gambark(2500), alpbark(2500), + . gamrad(2500), wid1comp(2500) + real*8 kapnu(100), taunu(100), cd(100), sline(100) + real*8 d(5000), dellam(400), w(100), + . rwtab(3000), gftab(3000), gfhold + real*8 delta, start, sstop, step, contnorm, + . oldstart, oldstop, oldstep, olddelta + real*8 rwlow, rwhigh, rwstep, wavestep, cogatom, + . delwave, wave, waveold, st1 + real*8 gammatot, gammav, gammas, gammar + integer group(2500), dostrong, gfstyle, lineflag, molflag, + . lim1, lim2, mode, nlines, nstrong, ndepths, ncurve, + . lim1line, lim2line, n1marker, ntabtot, + . iabatom, iaa, ibb + character*7 damptype(2500) + + common/linex/a, dopp, kapnu0, + . gf, wave1, atom1, e, + . chi, amass, charge, d0, + . dampnum, gf1, width, + . abundout, widout, strength, + . rdmass, gambark, alpbark, + . gamrad, wid1comp, + . kapnu, taunu, cd, sline, + . d, dellam, w, + . rwtab, gftab, gfhold, + . delta, start, sstop, step, contnorm, + . oldstart, oldstop, oldstep, olddelta, + . rwlow, rwhigh, rwstep, wavestep, cogatom, + . delwave, wave, waveold, st1, + . gammatot, gammav, gammas, gammar, + . group, dostrong, gfstyle, lineflag, molflag, + . lim1, lim2, mode, nlines, nstrong, ndepths, ncurve, + . lim1line, lim2line, n1marker, ntabtot, + . iabatom, iaa, ibb + common/lindamp/damptype + diff --git a/Linlimit.f b/Linlimit.f new file mode 100755 index 0000000..9321413 --- /dev/null +++ b/Linlimit.f @@ -0,0 +1,157 @@ + + subroutine linlimit +c****************************************************************************** +c This routine marks the range of lines to be considered in a +c particular line calculations, depending on the type of calculation +c (e.g. synthetic spectrum, single line curve-of-growth, etc.) +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Linex.com' + include 'Pstuff.com' + + + lineflag = 0 +c*****for single-line computations, the line rage is the whole line set; +c this will be called from "ewfind" + if (mode .eq. 1) then + lim1line = 1 + lim2line = nlines + return + + +c*****for deriving abundances from single of lines of one species, delimit +c the lines of that species as the range; called from "abfind" + elseif (mode .eq. 2) then + if (lim2line .eq. nlines) then + if (nlines .eq. 1) then + lim1line = 1 + lim2line = 1 + mode = -1 + else + lim1line = -1 + endif + return + endif + if (lim1line .eq. 0) then + lim1line = 1 + else + lim1line = lim2line + 1 + endif + if (lim1line .eq. nlines) then + lim2line = lim1line + return + else + oldatom = atom1(lim1line) + do j=lim1line+1,nlines + if (atom1(j) .ne. oldatom) then + lim2line = j - 1 + return + endif + enddo + endif + lim2line = nlines + return + + +c*****for spectrum synthesis, find the range of lines to include at each +c wavelength step; called from "synspec"; if requested synthesis +c begins more than 10A blueward or goes on more than 105A redward of the +c linelist limits, the synthesis aborts with a message; + elseif (mode .eq. 3) then + wavelo = wave - delta + wavehi = wave + delta +c requested synthesis too far from linelist limits + if (wavehi .lt. wave1(1)-10.0) then + write (*,1004) + stop + elseif (wavelo .gt. wave1(nlines)+10.0 .and. + . nlines+nstrong .lt. 2500) then + write (*,1005) + stop + endif +c blank synthesis at start or end of requested wavelength range + if (wavehi .lt. wave1(1)) then + lim1line = 1 + lim2line = 1 + lineflag = -1 + return + elseif (wavelo .gt. wave1(nlines)) then + lim1line = nlines + lim2line = nlines + lineflag = -1 + return + endif +c requested synthesis region is at least partially within the line list +c first set the lower synthesis limit; at the beginning of a synthesis +c of with a new chunk of lines, lim1line = 0 + if (lim1line.eq.0 .or. wavelo .lt. wave1(1)) lim1line = 1 + do j=lim1line,nlines + if (wavelo .lt. wave1(j)) then + lim1line = j + exit + endif + enddo +c now set the upper synthesis limit + do j=lim1line,nlines + if (wavehi .lt. wave1(j)) then + lim2line = j - 1 + if (lim1line.eq.lim2line .and. + . wavelo.gt. wave1(lim1line)) then + lineflag = -1 + endif + return + endif + enddo +c here the end of the line list has been reached; decide whether +c to read in more lines + if (nlines+nstrong .eq. 2500) then + lim2line = -1 + else + lim2line = nlines + endif + return + + +c*****for blended line force fits to the EWs, the range is a set of +c lines in a particular blend + elseif (mode .eq. 4) then + if (lim1line .eq. 0) lim1line = 1 + if (group(lim1line) .ne. 0.) then + write (array,1001) + call prinfo (10) + write (array,1002) + call prinfo (11) + stop + endif + if (lim1line .eq. nlines) then + lim2line = lim1line + else + do j=lim1line+1,nlines + if (group(j) .ne. 1) then + lim2line = j - 1 + return + endif + enddo + lim2line = nlines + endif + return + else + write (array,1003) mode + call prinfo (10) + stop + endif + + +c*****format statements +1001 format ('TROUBLE! THE FIRST LINE IN THE GROUP') +1002 format ('DOES NOT DEFINE A NEW GROUP OF LINES! I QUIT!') +1003 format ('mode = ', i3, ' BUT IT MUST BE 1-4 ONLY; I QUIT!') +1004 format ('synthesis begins more than 10A blueward of the', + . ' linelist start; I QUIT!') +1005 format ('synthesis ends more than 10A redward of the', + . ' linelist end; I QUIT!') + + + end + diff --git a/Makefile.macdesk b/Makefile.macdesk new file mode 100755 index 0000000..808cf56 --- /dev/null +++ b/Makefile.macdesk @@ -0,0 +1,53 @@ +# makefile for MOOG with all of the common block assignments; +# this is for my Mac laptop + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moog.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +FC = g77 -w + +# the following lines point to some needed libraries +X11LIB = /usr/X11R6/lib +SMLIB = /Applications/scisoft/i386/Packages/sm/lib +AQLIB = /usr/local/scisoft/lib + +# here are the compilation and linking commands +all: MOOG ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOG into the FORTRAN source driver + @echo routine Moog.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOG: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOG -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils -L$(AQLIB) -laquaterm + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOG libMOOG.a diff --git a/Makefile.macdesksilent b/Makefile.macdesksilent new file mode 100755 index 0000000..0d98bb6 --- /dev/null +++ b/Makefile.macdesksilent @@ -0,0 +1,53 @@ +# makefile for MOOGSILENT with all of the common block assignments; +# this is for my Mac laptop + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moog.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +FC = g77 -w + +# the following lines point to some needed libraries +X11LIB = /usr/X11R6/lib +SMLIB = /Applications/scisoft/i386/Packages/sm/lib +AQLIB = /usr/local/scisoft/lib + +# here are the compilation and linking commands +all: MOOGSILENT ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOGSILENT into the FORTRAN source driver + @echo routine Moogsilent.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOGSILENT: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOGSILENT -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils -L$(AQLIB) -laquaterm + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOGSILENT libMOOGSILENT.a diff --git a/Makefile.maclap b/Makefile.maclap new file mode 100755 index 0000000..90ce764 --- /dev/null +++ b/Makefile.maclap @@ -0,0 +1,54 @@ +# makefile for MOOG with all of the common block assignments; +# this is for my Mac laptop + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moog.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +FC = gfortran -std=legacy -w + +# the following lines point to some needed libraries +X11LIB = /usr/X11R6/lib +SMLIB = /usr/local/lib + +# here are the compilation and linking commands +all: MOOG ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOG into the FORTRAN source driver + @echo routine Moog.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOG: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOG -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils +#-L$(AQLIB) -laquaterm + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOG libMOOG.a diff --git a/Makefile.maclapsilent b/Makefile.maclapsilent new file mode 100755 index 0000000..21ca029 --- /dev/null +++ b/Makefile.maclapsilent @@ -0,0 +1,53 @@ +# makefile for MOOGSILENT with all of the common block assignments; +# this is for my Mac laptop + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moogsilent.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +FC = gfortran -std=legacy -w + +# the following lines point to some needed libraries +X11LIB = /usr/X11R6/lib +SMLIB = /usr/local/lib + +# here are the compilation and linking commands +all: MOOGSILENT ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOGSILENT into the FORTRAN source driver + @echo routine Moogsilent.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOGSILENT: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOGSILENT -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOGSILENT libMOOGSILENT.a diff --git a/Makefile.rh b/Makefile.rh new file mode 100755 index 0000000..428fceb --- /dev/null +++ b/Makefile.rh @@ -0,0 +1,52 @@ +# makefile for MOOG with all of the common block assignments; +# this is for a Redhat linux machine + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moog.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +CC = cc +FC = f77 -Wall + +# the following lines point to some needed libraries +X11LIB = /usr/X11R6/lib +SMLIB = /opt/local/lib + +# here are the compilation and linking commands +all: MOOG ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOG into the FORTRAN source driver + @echo routine Moog.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOG: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOG -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOG libMOOG.a diff --git a/Makefile.rh64 b/Makefile.rh64 new file mode 100755 index 0000000..d0c9a97 --- /dev/null +++ b/Makefile.rh64 @@ -0,0 +1,53 @@ +# makefile for MOOG with all of the common block assignments; +# this is for a 64-bit linux machine + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moog.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +CC = cc +FC = gfortran -ff2c -Wall + +# the following lines point to some needed libraries +X11LIB = /usr/lib64 +SMLIB = /astro/apps6/opt/sm-2.4.35/lib + +# here are the compilation and linking commands +all: MOOG ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOG into the FORTRAN source driver + @echo routine Moog.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOG: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOG -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOG libMOOG.a diff --git a/Makefile.rh64silent b/Makefile.rh64silent new file mode 100755 index 0000000..9ba8b47 --- /dev/null +++ b/Makefile.rh64silent @@ -0,0 +1,53 @@ +# makefile for MOOGSILENT with all of the common block assignments; +# this is for a 64-bit linux machine + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moogsilent.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +CC = cc +FC = gfortran -ff2c -Wall + +# the following lines point to some needed libraries +X11LIB = /usr/lib64 +SMLIB = /astro/apps6/opt/sm-2.4.35/lib + +# here are the compilation and linking commands +all: MOOGSILENT ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOGSILENT into the FORTRAN source driver + @echo routine Moogsilent.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOGSILENT: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOGSILENT -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOGSILENT libMOOGSILENT.a diff --git a/Makefile.rhsilent b/Makefile.rhsilent new file mode 100755 index 0000000..d45b554 --- /dev/null +++ b/Makefile.rhsilent @@ -0,0 +1,53 @@ +# makefile for MOOGSILENT with all of the common block assignments; +# this is for a Redhat linux machine + +# here are the object files +OBJECTS = Abfind.o Abpop.o Abunplot.o Batom.o Begin.o Binary.o \ + Binplot.o Binplotprep.o Blankstring.o Blends.o Bmolec.o Boxit.o \ + Calmod.o Cdcalc.o Chabund.o Cog.o Cogplot.o Cogsyn.o \ + Correl.o Crosscorr.o Curve.o Damping.o Defcolor.o Discov.o \ + Doflux.o Drawcurs.o Eqlib.o Ewfind.o \ + Ewweighted.o Fakeline.o Findtic.o Finish.o \ + Fluxplot.o Gammabark.o Getasci.o Getcount.o Getnum.o Getsyns.o \ + Gridplo.o Gridsyn.o Infile.o Inlines.o Inmodel.o Invert.o \ + Jexpint.o Lineinfo.o Lineabund.o Linlimit.o \ + Makeplot.o Molquery.o Moog.o Mydriver.o \ + Nansi.o Nearly.o Number.o Obshead.o \ + Oneline.o Opaccouls.o OpacHelium.o OpacHydrogen.o \ + Opacit.o Opacmetals.o Opacscat.o Params.o Partfn.o \ + Partnew.o Plotit.o Plotremember.o Pltabun.o Pltcog.o \ + Pltflux.o Pltspec.o Pointcurs.o Prinfo.o Putasci.o Readobs.o \ + Rinteg.o Setmols.o Smooth.o Specplot.o Stats.o Sunder.o Synpop.o \ + Synspec.o Synth.o Tablepop.o Taukap.o Total.o Trudamp.o Ucalc.o \ + Vargauss.o Vmacro.o Voigt.o Wavecalc.o Weedout.o Writenumber.o + +# here are the common files +COMMON = Atmos.com Dummy.com Equivs.com Factor.com Kappa.com Linex.com \ + Mol.com Multistar.com Obspars.com Pstuff.com \ + Quants.com Multimod.com Dampdat.com + +CC = cc +FC = f77 -Wall + +# the following lines point to some needed libraries +X11LIB = /usr/X11R6/lib +SMLIB = /opt/local/lib + +# here are the compilation and linking commands +all: MOOGSILENT ; + @echo ----------------------------------------------------------------- + @echo + @echo make sure that you have entered the proper parameters + @echo for MOOGSILENT into the FORTRAN source driver + @echo routine Moogsilent.f !!!!!!!!!!!! + @echo + @echo ----------------------------------------------------------------- + +MOOGSILENT: $(OBJECTS); + $(FC) $(OBJECTS) -o MOOGSILENT -L$(X11LIB) -lX11 \ + -L$(SMLIB) -lplotsub -ldevices -lutils + +$(OBJECTS): $(COMMON) + +clean: + -rm -f *.o MOOGSILENT libMOOGSILENT.a diff --git a/Makeplot.f b/Makeplot.f new file mode 100755 index 0000000..e409124 --- /dev/null +++ b/Makeplot.f @@ -0,0 +1,123 @@ + + subroutine makeplot (lscreen) +c****************************************************************************** +c This subroutine does the plot-package-specific commands to begin +c a plot, then calls the specific plot drawing routine, then ends the +c plot. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + integer sm_device, lscreen, nchars + + +c open the plot device: screen terminal + if (plotroutine(1:4) .eq. 'term') then + if (sm_device(smterm) .lt. 0) then + write (array,1001) smterm + istat = ivwrite(lscreen+1,1,array,79) + write (nf1out,1007) array(1:79) + stop + endif + endif + + +c open the plot device: hardcopy sent to printer + if (plotroutine(1:4) .eq. 'hard') then + if (plotroutine(6:9) .eq. 'land') then + if (sm_device('postland') .lt. 0) then + write (array,1002) + istat = ivwrite(lscreen+1,1,array,34) + write (nf1out,1007) array(1:34) + stop + endif + elseif (plotroutine(6:9) .eq. 'port') then + if (sm_device('postport') .lt. 0) then + write (array,1009) + istat = ivwrite(lscreen+1,1,array,34) + write (nf1out,1007) array(1:34) + write (nf1out,1009) + stop + endif + endif + endif + + +c open the plot device: postscript file + if (plotroutine(1:4) .eq. 'file') then + if (f5out .eq. 'optional_output_file') then + array = 'Give the file name for the POSTSRIPT plot image: ' + nchars = 49 + call getasci (nchars,maxline) + f5out = chinfo(1:nchars) + else + nchars = 80 + call getcount (nchars,f5out) + endif + if (plotroutine(6:9) .eq. 'land') then + if (nchars .lt. 10) then + write (errmess,1003) nchars + else + write (errmess,1004) nchars + endif + elseif (plotroutine(6:9) .eq. 'port') then + if (nchars .lt. 10) then + write (errmess,1005) nchars + else + write (errmess,1006) nchars + endif + endif + write (array,errmess) f5out(1:nchars) + if (sm_device(array(1:nchars+13)) .lt. 0) then + write (nf1out,1007) array(1:nchars+9) + istat = ivwrite(lscreen+1,1,array,nchars+9) + stop + endif + endif + + +c issue standard beginning commands + call sm_graphics + call sm_erase + + +c call the routine that makes the desired plot + if (plotroutine(11:14) .eq. 'cog ') then + call cogplot + elseif (plotroutine(11:14) .eq. 'abun') then + call abunplot + elseif (plotroutine(11:14) .eq. 'spec') then + call specplot + elseif (plotroutine(11:14) .eq. 'bin ') then + call binplot + elseif (plotroutine(11:14) .eq. 'flux') then + call fluxplot + endif + + +c issue standard ending commands; exit normally + if (plotroutine(1:4) .eq. 'file') then + f5out = 'optional_output_file' + endif + call sm_gflush + if (plotroutine(1:4).eq.'hard' .or. + . plotroutine(1:4).eq.'file') call sm_hardcopy + call sm_alpha + return + + +c*****format statements +1001 format ('DEVICE OPENING ERROR FOR:',a54) +1002 format ('DEVICE OPENING ERROR FOR: postland') +1009 format ('DEVICE OPENING ERROR FOR: postport') +1007 format (a80) +1003 format ('(13hpostlandfile ,a',i1,'$)') +1004 format ('(13hpostlandfile ,a',i2,'$)') +1005 format ('(13hpostportfile ,a',i1,'$)') +1006 format ('(13hpostportfile ,a',i2,'$)') + + + end + + diff --git a/Mol.com b/Mol.com new file mode 100755 index 0000000..e042739 --- /dev/null +++ b/Mol.com @@ -0,0 +1,41 @@ +c****************************************************************************** +c this common block carries the data to and from the molecular +c equilibrium calculations; it is also used to hold isotopic +c abundance information +c****************************************************************************** + +c amol = names of the species +c smallmolist = the small set of default molecule names +c largemolist = the large set of default molecule names +c xmol = number density of the species at all atmopshere layers +c iorder = names of elements involved in molecular equilibrium, +c in the order that they are encountered in the species list +c xatom = working array at a particular layer: the number densities +c of neutral atomic species +c patom = working array at a particular layer: the partial pressures +c of neutral atomic species +c pmol = working array at a particular layer: the partial pressures +c of molecules +c xamol = number densities of neutral atomic species at all layers +c const = molecular constants loaded in from Bmolec. +c h2ocoeff = polynomial coefficients for H_2O partition functions +c co2coeff = polynomial coefficients for H_2O partition functions + + + real*8 pmol(110), xmol(110,100), xamol(30,100), + . xatom(30), patom(30), + . amol(110), smallmollist(110), largemollist(110), + . datmol(7,110), const(6,110), + . h2ocoeff(5), co2coeff(5), xnh2o(100), xnco2(100), + . uh2o(100), uco2(100) + integer neq, lev, nmol, natoms, iorder(30), molopt, molset + + + common /mol/ pmol, xmol, xamol, + . xatom, patom, + . amol, smallmollist, largemollist, + . datmol, const, + . h2ocoeff, co2coeff, xnh2o, xnco2, + . uh2o, uco2, + . neq, lev, nmol, natoms, iorder, molopt, molset + diff --git a/Molquery.f b/Molquery.f new file mode 100755 index 0000000..818892c --- /dev/null +++ b/Molquery.f @@ -0,0 +1,89 @@ + + subroutine molquery +c****************************************************************************** +c This routine discovers whether a species being analyzed in EW +c predicting of force-fitting mode is involved in molecular equilibrium +c (=M.E.) calculations as well; the variables is set appropriately +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + + molflag = 0 + iabatom = int(atom1(lim1obs)+0.0001) + + +c*****the species is an atom: +c*****search for it in the list of elements done in M.E. + if (atom1(lim1line) .lt. 100.) then + if (neq .eq. 0) then + return + else + do n=1,neq + if (iabatom .eq. iorder(n)) molflag = 1 + return + enddo + endif + + +c*****the species is a molecule: +c*****halt if M.E. wasn't done or didn't include this species + else + if (neq .eq. 0) then + lscreen = lscreen + 2 + write (array,1001) iabatom + call prinfo (lscreen) + stop + endif + call sunder(atom1(lim1obs),ia,ib) + iaa = ia + ibb = ib + do n=1,neq + if (ia.eq.iorder(n) .or. ib.eq.iorder(n)) molflag = ia + enddo + if (molflag .eq. 0) then + lscreen = lscreen + 2 + write (array,1002) iabatom + call prinfo (lscreen) + stop + endif + molflag = 1 + +c*****if molecule is a hydride, the non-H element will be varied + if (ia.eq.1 .or. ib.eq.1) then + if (ia .eq. 1) then + iabatom = ib + else + iabatom = ia + endif + + +c*****for other molecules, the user specifies which element will be varied + else + write (array,1003) iabatom + nchars = 56 + call getnum (nchars,ikount+1,xnum,shortnum) + iabatom = int(xnum+0.0001) + + if (iabatom.ne.ia .and. iabatom.ne.ib) then + write (array,1003) + stop + endif + endif + return + endif + + +c*****format statements +1001 format ('YOU FORGOT TO DO MOLECULAR EQUILIBRIUM FOR ', + . 'SPECIES ', i3, '; I QUIT!') +1002 format ('YOUR MOLECULAR EQUILIBRIUM DOES NOT INCLUDE ', + . 'THE ATOMS FOR SPECIES ', i3, '; I QUIT!') +1003 format ('LINES OF SPECIES ', i3, ' ARE NEXT: ', + . ' CHANGE ATOMIC NUMBER? ') + + + end + diff --git a/Moog.f b/Moog.f new file mode 100755 index 0000000..e78e525 --- /dev/null +++ b/Moog.f @@ -0,0 +1,117 @@ + + program moog +c****************************************************************************** +c This is the main driver for MOOG. It reads the parameter +c file and sends MOOG to various controlling subroutines. +c This is the normal interactive version of the code; for batch +c processing without user decisions, run MOOGSILENT instead. +c****************************************************************************** + + include 'Atmos.com' + include 'Pstuff.com' + character yesno*1 + + +c$$$$$$$$$$$$$$$$$$$$$$$$ USER SETUP AREA $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ +c*****in compiling MOOG, here the various machine-specific things are +c declared. First, define the directory where MOOG lives, in order to +c be able to pull in auxiliary data files; executing 'make' will +c generate a reminder of this necessity + write (moogpath,1001) + moogpath = + . '/Users/chris/CODES/moognov2019/' + + +c*****What kind of machine are you using? Possible ones are: +c "mac" = Intel-based Apple Mac +c "pcl" = a PC or desktop running some standard linux like Redhat +c "uni" = a machine running Unix, specifically Sun Solaris + machine = "mac" + + +c*****for x11 terminal types, define the parameters of plotting windows; +c set up an x11 screen geometry and placement that is good for spectrum +c syntheses (long, but not tall); the user should play with the format +c statements for particular machines. + write (smt1,1018) +c now do the same for line abundance trend plots (short but tall). + write (smt2,1017) +c$$$$$$$$$$$$$$$$$$$$$$$ END OF USER SETUP $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ + + +c*****declare this to be the normal interactive version; variable "silent" +c will be queried on all occasions that might call for user input; +c DON'T CHANGE THIS VARIABLE; +c if silent = 'n', the normal interactive MOOG is run; +c if silent = 'y', the non-interactive MOOG is run + silent = 'n' + + +c*****invoke the overall starting routine +1 control = ' ' + call begin + + +c*****use one of the standard driver routines + if (control .eq. 'synplot') then + call plotit + elseif (control .eq. 'synth ') then + call synth + elseif (control .eq. 'cogsyn ') then + call cogsyn + elseif (control .eq. 'blends ') then + call blends + elseif (control .eq. 'abfind ') then + call abfind + elseif (control .eq. 'ewfind ') then + call ewfind + elseif (control .eq. 'cog ') then + call cog + elseif (control .eq. 'calmod ') then + call calmod + elseif (control .eq. 'doflux ') then + call doflux + elseif (control .eq. 'weedout') then + call weedout + elseif (control .eq. 'gridsyn') then + call gridsyn + elseif (control .eq. 'gridplo') then + call gridplo + elseif (control .eq. 'binary ') then + call binary + elseif (control .eq. 'abpop ') then + call abpop + elseif (control .eq. 'synpop ') then + call synpop + + +c*****or, put in your own drivers in the form below.... + elseif (control .eq. 'mine ') then + call mydriver + + +c*****or else you are out of luck! + else + array = 'THIS IS NOT ONE OF THE DRIVERS. TRY AGAIN (y/n)?' + istat = ivwrite (4,3,array,49) + istat = ivmove (3,1) + read (*,*) yesno + if (yesno .eq. 'y') then + go to 1 + else + call finish (0) + endif + endif + + +c*****format statements +1001 format (60(' ')) +1003 format (22x,'MOOG IS CONTROLLED BY DRIVER ',a7) +1017 format ('x11 -bg black -title MOOGplot -geom 700x800+650+000') +1018 format ('x11 -bg black -title MOOGplot -geom 1200x350+20+450') + + + end + + + diff --git a/Moogsilent.f b/Moogsilent.f new file mode 100755 index 0000000..6ae7d95 --- /dev/null +++ b/Moogsilent.f @@ -0,0 +1,113 @@ + + program moogsilent +c****************************************************************************** +c This is the main driver for the non-interactive version of MOOG. +c It reads the parameter file and sends MOOG to various controlling +c subroutines. In this version of MOOG the parameter file must +c be named "batch.par" (because the code cannot stop to ask the +c user to name the parameter file) +c****************************************************************************** + + include 'Atmos.com' + include 'Pstuff.com' + + +c$$$$$$$$$$$$$$$$$$$$$$$$ USER SETUP AREA $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ +c in compiling MOOG, here the various machine-specific things are +c declared. First, define the directory where MOOG lives, in order to +c be able to pull in auxiliary data files; executing 'make' will +c generate a reminder of this + write (moogpath,1001) + moogpath = + . '/Users/chris/CODES/moognov2019/' + + +c*****What kind of machine are you using? Possible ones are: +c "mac" = Intel-based Apple Mac +c "pcl" = a PC or desktop running some standard linux like Redhat +c "uni" = a machine running Unix, specifically Sun Solaris + machine = "mac" + + +c*****for x11 terminal types, define the parameters of plotting windows; +c set up an x11 screen geometry and placement that is good for spectrum +c syntheses (long, but not tall); the user should play with the format +c statements for particular machines. + write (smt1,1018) +c now do the same for line abundance trend plots (short but tall). + write (smt2,1017) +c$$$$$$$$$$$$$$$$$$$$$$$ END OF USER SETUP $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ + + +c*****declare this to be the non-interactive version; variable "silent" +c will be queried on all occasions that might call for user input; +c DON'T CHANGE THIS VARIABLE; +c if silent = 'n', the normal interactive MOOG is run; +c if silent = 'y', the non-interactive MOOG is run + silent = 'y' + + +c*****invoke the overall starting routine + control = ' ' + call begin + + +c*****use one of the standard driver routines ("isotop" is obsolete): + if (control .eq. 'synplot') then + call plotit + elseif (control .eq. 'isoplot') then + call plotit + elseif (control .eq. 'synth ') then + call synth + elseif (control .eq. 'cogsyn ') then + call cogsyn + elseif (control .eq. 'blends ') then + call blends + elseif (control .eq. 'abfind ') then + call abfind + elseif (control .eq. 'ewfind ') then + call ewfind + elseif (control .eq. 'cog ') then + call cog + elseif (control .eq. 'calmod ') then + call calmod + elseif (control .eq. 'isotop ') then + control = 'synth ' + call synth + elseif (control .eq. 'doflux ') then + call doflux + elseif (control .eq. 'weedout') then + call weedout + elseif (control .eq. 'gridsyn') then + call gridsyn + elseif (control .eq. 'gridplo') then + call gridplo + elseif (control .eq. 'binary ') then + call binary + elseif (control .eq. 'abpop ') then + call abpop + elseif (control .eq. 'synpop ') then + call synpop + + +c*****or, put in your own drivers in the form below.... + elseif (control .eq. 'mine ') then + call mydriver + + +c*****or else you are out of luck! + else + array = 'THIS IS NOT ONE OF THE DRIVERS. I QUIT!' + istat = ivwrite (4,3,array,49) + stop + endif + + +c*****format statements +1001 format (60(' ')) +1017 format ('x11 -bg black -title MOOGplot -geom 700x800+650+000') +1018 format ('x11 -bg black -title MOOGplot -geom 1200x400+20+450') + + + end + diff --git a/Multimod.com b/Multimod.com new file mode 100755 index 0000000..eefac16 --- /dev/null +++ b/Multimod.com @@ -0,0 +1,32 @@ +c****************************************************************************** +c this common block carries the data for population syntheses, +c using multiple model calculations +c****************************************************************************** + + + real*8 gfmodtab(100,1000,50), rwmodtab(100,1000,50) + real*8 weightmod(100,1000), fluxmod(100,1000), + . ewmod(1000) + real*8 radius(100), relcount(100) + real*8 elspecial(10), abspecial(100,10) + real*8 isospecial(10), fracspecial(100,10) + real*8 deltangf, rwlgerror + integer nmodcurve(100,1000), modtot, nabs, nisos + + character*80 fmodinput(100), fmodoutput(100), + . modpre, synpre + + + common/multidata/ gfmodtab, rwmodtab, + . weightmod, fluxmod, + . ewmod, + . radius, relcount, + . elspecial, abspecial, + . isospecial, fracspecial, + . deltangf, rwlgerror, + . nmodcurve, modtot, nabs, nisos + + common/multichar/ fmodinput, fmodoutput, + . modpre, synpre + + diff --git a/Multistar.com b/Multistar.com new file mode 100755 index 0000000..af83056 --- /dev/null +++ b/Multistar.com @@ -0,0 +1,20 @@ + +c****************************************************************************** +c this common block is used for storning information that will be +c used in combining spectra of different stars in various ways +c****************************************************************************** + + real*8 binpecabund(2,95,5), binpec(2,95), + . fluxprimary, fluxsecondary, + . lumratio, deltaradvel + integer begin + character*80 modbin(2) + + common/binstuff/ + . binpecabund, binpec, + . fluxprimary, fluxsecondary, + . lumratio, deltaradvel, + . begin + common/binchars/ + . modbin + diff --git a/Mydriver.f b/Mydriver.f new file mode 100755 index 0000000..7008739 --- /dev/null +++ b/Mydriver.f @@ -0,0 +1,13 @@ + + subroutine mydriver +c****************************************************************************** +c This program is a dummy routine now. The user can substitute a new +c driver in its place, for experimental or specialized MOOG use. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + + return + + end + diff --git a/Nansi.f b/Nansi.f new file mode 100755 index 0000000..4f876c9 --- /dev/null +++ b/Nansi.f @@ -0,0 +1,184 @@ + + integer function ivcleof(y,x) +c****************************************************************************** +c This routine clears to the end of the screen, beginning with the +c position row=y, column=x. The cursor is then placed at (y,x) +c****************************************************************************** + + include 'Pstuff.com' + character blank*79 + integer y,x,ypos,xpos + + write(blank,1001) +1001 format(79(' ')) + istat = ivwrite(y,x,blank,79) + xpos = 1 + ypos = y + + + do 11 ipos=ypos,maxline + istat = ivmove(ipos,xpos) +11 istat = ivcleol() + istat = ivmove(y,x) +c + ivcleof = 0 + return + end + + + + + + integer function ivwrite(y,x,arr,ccount) +c +c This routine writes out a string of characters from 'arr', +c with the first character beginning at row=y, column=x. The length +c of the string may be at most 79 characters, and this routine +c will not write on the 80th column or the 25th row of the screen. +c + include 'Pstuff.com' + integer y,x,count,ccount + character arr*(*),dummy*80,string(80)*1,esc*1 + equivalence (dummy,string(1)) +c + count = ccount + if (y .gt. maxline .or. x .gt. 79) then + ivwrite = -1 + return + endif +c + esc = char(27) + dummy = arr + count = min0(80-x,count) +c + if (x .lt. 10) then + if (y .lt. 10) then + write (*,1007) esc,y,x,(string(i),i=1,count) +1007 format(1x,a1,'[',i1,';',i1,'H',80a1) + else + write (*,1006) esc,y,x,(string(i),i=1,count) +1006 format(1x,a1,'[',i2,';',i1,'H',80a1) + endif + else + if (y .lt. 10) then + write (*,1005) esc,y,x,(string(i),i=1,count) +1005 format(1x,a1,'[',i1,';',i2,'H',80a1) + else + write (*,1004) esc,y,x,(string(i),i=1,count) +1004 format(1x,a1,'[',i2,';',i2,'H',80a1) + endif + endif +c + ivwrite = 0 + return + end + + + + + + + integer function ivmove(y,x) +c +c This routine moves the cursor to position row=y, column=x. +c It checks to be sure that y does not exceed 'maxline', and x does not +c exceed 79 (the screen limits). +c + include 'Pstuff.com' + integer y,x + character esc*1 +c + if (y .gt. maxline .or. x .gt. 79) then + ivmove = -1 + return + endif +c + esc = char(27) +c + if (x .lt. 10) then + if (y .lt. 10) then + write (*,1007) esc,y,x +1007 format(1x,a1,'[',i1,';',i1,'H') + else + write (*,1006) esc,y,x +1006 format(1x,a1,'[',i2,';',i1,'H') + endif + else + if (y .lt. 10) then + write (*,1005) esc,y,x +1005 format(1x,a1,'[',i1,';',i2,'H') + else + write (*,1004) esc,y,x +1004 format(1x,a1,'[',i2,';',i2,'H') + endif + endif +c + ivmove = 0 + return + end + + + + + + + integer function ivcleol() +c This routine clears to the end of a line, beginning with the current +c cursor position. +c + character*1 esc +c + esc = char(27) + write(*,1001) esc +1001 format(1x,a1,'[K') +c + ivcleol = 0 + return + end + + + + + integer function ivbold(on) +c +c This routine either turns on the bold-face lettering, if on=1, +c or turns it off, if on=0 +c + integer on + character*1 esc +c + esc = char(27) + if(on.eq.1) then + write(*,'(1x,a1,a)') esc,'[1m' + else + write(*,'(1x,a1,a)') esc,'[0m' + endif +c + ivbold = 0 + return + end + + + + + + integer function ivundl(on) +c +c This routine either turns on the underlining of text, if on=1, +c or turns it off. +c + integer on + character*1 esc +c + esc = char(27) + if(on.eq.1) then + write(*,'(1x,a1,a)') esc,'[4m' + else + write(*,'(1x,a1,a)') esc,'[0m' + endif +c + ivundl = 0 + return + end + + diff --git a/Nearly.f b/Nearly.f new file mode 100755 index 0000000..73ca6c8 --- /dev/null +++ b/Nearly.f @@ -0,0 +1,186 @@ + + subroutine nearly (numpass) +c****************************************************************************** +c This routine calculates the quantity 'kapnu0' for each line and +c each tau; this is the line opacity at line center. When kapnu0 is +c multiplied by the voigt function, one gets the line opacity at an +c arbitrary wavelength. Then, the Doppler factor 'dopp' and damping +c parameter 'a' are also computed ('a' is done in a call to another +c routine +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Quants.com' + include 'Linex.com' + include 'Factor.com' + include 'Mol.com' + include 'Dummy.com' + real*8 xnum(100) + integer numpass + equivalence (xnum,dummy1) + + +c*****load in data for damping factors to be computed from the data +c of Barklem, if desired + if (numpass.eq.1 .and. dampingopt.eq.1) call gammabark + + +c*****Locate the atmosphere level where taulam is near 0.5 + if (numpass.eq.1 .or. numpass.eq.3) then + call opacit (2,wave1(1)) + do i=1,ntau + if (taulam(i) .ge. 0.5) go to 180 + enddo +180 jtau5 = i + endif + + +c*****if reading in a new line list, do all lines (numpass=1); +c if iterating "abfind" on a species affected by mol. eq., +c do just that species (numpass=2); if doing a fake line, or +c maybe one line for a special purpose, do just the first line +c in the "list" (numpass=3) + if (numpass .eq. 1) then + j1 = 1 + j2 = nlines + nstrong + elseif (numpass .eq. 2) then + j1 = lim1line + j2 = lim2line + elseif (numpass .eq. 3) then + j1 = 1 + j2 = 1 + endif + + +c*****now make the calculations: set up some parameters + do j=j1,j2 + ich = idint(charge(j) + 0.1) + iatom = atom1(j) + 0.0001 + factoriso = 1.0 + + +c*****compute the Doppler factors + if (numpass.eq.1 .or. numpass.eq.3) then + do i=1,ntau + dopp(j,i) = dsqrt(1.6631d8*t(i)/amass(j)+vturb(i)**2) + enddo + + +c*****compute damping parameters in a separate routine + call damping (j) + endif + + +c*****either: compute lower state number densities for atomic lines; +c q21 is the ion/neutral ratio, etc., and q is the ratio of the total +c to the species of interest; do the Saha equation first, then +c the Boltzmann equation + if (iatom .lt. 100) then + do i=1,ntau + q21 = 4.825d15*u(iatom,2,i)/(u(iatom,1,i)*ne(i))* + . t(i)**1.5*dexp(-chi(j,1)/tkev(i)) + q32 = 4.825d15*u(iatom,3,i)/(u(iatom,2,i)*ne(i))* + . t(i)**1.5*dexp(-chi(j,2)/tkev(i)) + q43 = 4.825d15*u(iatom,4,i)/(u(iatom,3,i)*ne(i))* + . t(i)**1.5*dexp(-chi(j,3)/tkev(i)) + if (neq .ne. 0) then + do n=1,neq + if (iatom .eq. iorder(n)) then + xxnum = xamol(n,i) + if (ich .eq. 1) then + q = 1.0 + elseif (ich .eq. 2) then + q = 1.0/q21 + elseif (ich .eq. 3) then + q = 1.0/(q21*q32) + 1.0/q32 + 1.0 + q43 + endif + xnum(i) = xxnum/q*dexp(-e(j,1)/tkev(i))/ + . u(iatom,ich,i) + endif + enddo + endif + if (ich .eq. 1) then + q = 1.0 + q21 + q32*q21 + q43*q32*q21 + elseif (ich .eq. 2) then + q = 1.0/q21 + 1.0 + q32 + q43*q32 + elseif (ich .eq. 3) then + q = 1.0/(q21*q32) + 1.0/q32 + 1.0 + q43 + endif + if (control .eq. 'abandy') then + xxab = xabund(iatom)*10**deltaabund + else + xxab = xabund(iatom) + endif + xnum(i) = xxab*nhtot(i)/q* + . dexp(-e(j,1)/tkev(i))/u(iatom,ich,i) + enddo + + +c*****or: compute lower state number densities for molecular lines + elseif (iatom .lt. 10000) then + call sunder(atom1(j),iaa,ibb) + do n=1,neq + if(iorder(n) .eq. iaa) ia = n + if(iorder(n) .eq. ibb) ib = n + enddo + do i=1,ntau + psipri = + . 1.38065d-16*t(i)*10.0**(d0(j)*theta(i)-13.670)* + . theta(i)**2.5/ + . (rdmass(j)**1.5*u(iaa,1,i)*u(ibb,1,i)) + xnum(i) = dexp(-e(j,1)/tkev(i))*psipri* + . xamol(ia,i)*xamol(ib,i) + enddo + else + if (iatom .eq. 10108) then + do i=1,ntau + xnum(i) = xnh2o(i)/uh2o(i)*dexp(-e(j,1)/tkev(i)) + enddo + elseif (iatom .eq. 60808) then + do i=1,ntau + xnum(i) = xnco2(i)/uco2(i)*dexp(-e(j,1)/tkev(i)) + enddo + else + write (*,1001) iatom + stop + endif + endif + + +c*****finally, compute line opacities at line centers + if (atom1(j)-float(iatom) .ge. 0.0) then + do n=1,numiso + if (atom1(j) .eq. isotope(n)) then + factoriso = isoabund(n,isorun) + endif + enddo + endif + do i=1,ntau + kapnu0(j,i) = 2.65386d-2*xnum(i)*gf(j)*wave1(j)*1.0d-8/ + . dopp(j,i)*(1.0-dexp(-1.43879d8/ + . (wave1(j)*t(i))))/factoriso + enddo + strength(j) = kapnu0(j,jtau5) + enddo + + +c*****output regular line information, and strong line information +c if appropriate; exit routine normally + if (numpass.eq.1 .or. numpass.eq.3) then + if (linprintopt .ge. 0) then + if (dostrong .gt. 0) call lineinfo (2) + call lineinfo (1) + endif + endif + return + + +c*****format statements +1001 format (i6, 'IS NOT AN ALLOWED TRIATOMIC (H_2O AND CO_2);', + . ' I QUIT!') + + + end + + diff --git a/Number.f b/Number.f new file mode 100755 index 0000000..d6367f5 --- /dev/null +++ b/Number.f @@ -0,0 +1,53 @@ + + subroutine number (nchar,line,xnum) +c****************************************************************************** +c this routine decodes a character string into a double precision +c floating point number +c****************************************************************************** + + include 'Pstuff.com' + real*8 xnum + character form*10 + + +c*****if a carriage return has been hit, return with -9999. + if (nchar .le. 0) then + xnum = -9999. + return + endif + + +c*****set the conversion format + if (nchar .lt. 10) then + write(form,1001) nchar + else + write(form,1002) nchar + endif + + +c*****now do the conversiton to a number + read (unit=chinfo,fmt=form,iostat=ierr,err=100) xnum + return + + +c*****here an error has been detected +100 write (errmess,1004) ierr,chinfo(1:nchar) + nchars = 65 + istat = ivwrite (line,3,errmess,nchars) + xnum = -9999. + return + + +c*****format statements +1001 format('(f',i1,'.0) ') +1002 format('(f',i2,'.0) ') +1004 format ('ERROR IN NUMBER INPUT: ERROR=',i4,5x,'NUMBER=',a20) + + + end + + + + + + diff --git a/Obshead.f b/Obshead.f new file mode 100755 index 0000000..fd3281a --- /dev/null +++ b/Obshead.f @@ -0,0 +1,102 @@ + + subroutine obshead (head,iend,line) +c****************************************************************************** +c this routine decodes the header records of the observed FITS +c spectrum file +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Pstuff.com' + include 'Obspars.com' + include 'Atmos.com' + character head*2880 + + do j=1,36 + k = 80*(j-1) + if (head(k+1:k+8) .eq. 'SIMPLE ') then + if (head(k+30:k+30) .ne. 'T') then + write(array,1029) head(k+1:k+58) + istat = ivwrite (line+2,3,array,79) + go to 1007 + endif + elseif (head(k+1:k+8) .eq. 'BITPIX ') then + read (head(k+1:k+80),1025) ibits + if (ibits .eq. 16) then + nblock = 1440 + elseif (ibits .eq. 32) then + nblock = 720 + elseif (ibits .eq. -32) then + nblock = 720 + else + write(array,1026) ibits + istat = ivwrite (line+2,3,array,32) + go to 1007 + endif + elseif (head(k+1:k+8) .eq. 'NAXIS ') then + read (head(k+1:k+80),1025) naxis + if (naxis .ne. 1) then + write(array,1028) head(k+1:k+58) + go to 1007 + endif + elseif (head(k+1:k+8) .eq. 'NAXIS1 ') then + read (head(k+1:k+80),1025) lount + elseif (head(k+1:k+8) .eq. 'OBJECT ') then + write (obsitle,1027) head(k+12:k+80) + elseif (head(k+1:k+8) .eq. 'BZERO ') then + read (head(k+1:k+80),1024) bzero + elseif (head(k+1:k+8) .eq. 'BSCALE ') then + read (head(k+1:k+80),1024) bscale + elseif ((head(k+1:k+8) .eq. 'W0 ') .or. + . (head(k+1:k+8) .eq. 'CRVAL1 ')) then + read (head(k+1:k+80),1024) disp(1) + elseif ((head(k+1:k+8) .eq. 'WPC ') .or. + . (head(k+1:k+8) .eq. 'CDELT1 ')) then + read (head(k+1:k+80),1024) dval + if (dval .ne. 1.) disp(2) = dval + elseif (head(k+1:k+8) .eq. 'CD1_1 ') then + read (head(k+1:k+80),1024) disp(2) + elseif (head(k+1:k+8) .eq. 'FILENAME') then + write (obsitle(39:80),1023) head(k+12:k+53) + elseif (head(k+1:k+8) .eq. 'HISTORY ') then + if (head(k+24:k+28) .eq. 'DISP=') then + read (head(k+1:k+80),1022) (disp(i),i=1,4) + elseif (head(k+20:k+26) .eq. 'D1,2,3:') then + read (head(k+1:k+80),1042) (disp(i),i=1,3) + elseif (head(k+20:k+26) .eq. 'D4,5,6:') then + read (head(k+1:k+80),1042) (disp(i),i=4,6) + elseif (head(k+20:k+26) .eq. 'D7,8,9:') then + read (head(k+1:k+80),1042) (disp(i),i=7,9) + if (disp(7).ne.0.0 .and. disp(8).eq.0.0 .and. + . disp(9).eq.0.0) then + disp(8) = 1.0 + disp(9) = lount + endif + endif + elseif (head(k+1:k+8) .eq. 'END ') then + iend = 1 + return + endif + enddo + return + + +1007 lount = -1 + return + + +c*****format statements +1022 format(28x,1p4d13.5) +1023 format (a41) +1024 format (10x,d20.10) +1025 format (10x,i20) +1026 format('SORRY: I CANT HANDLE BITPIX=',i4) +1027 format (a68) +1028 format('ILLEGAL NAXIS ENTRY: ',a58) +1029 format('ILLEGAL FILE FORMAT: ',a58) +1042 format(26x,1p3d18.11) + + + end + + + diff --git a/Obspars.com b/Obspars.com new file mode 100755 index 0000000..57f23aa --- /dev/null +++ b/Obspars.com @@ -0,0 +1,12 @@ + +c****************************************************************************** +c this common block is simply to share information between the +c observation input routines +c****************************************************************************** + + real*8 disp(9), bzero, bscale + integer ibits, nblock, naxis, naxis1, byteswap + + common/obspars/disp, bzero, bscale, + . ibits, nblock, naxis, naxis1, byteswap + diff --git a/Oneline.f b/Oneline.f new file mode 100755 index 0000000..4cc6155 --- /dev/null +++ b/Oneline.f @@ -0,0 +1,182 @@ + + subroutine oneline (imode) +c****************************************************************************** +c This routine computes a single line profile +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Dummy.com' + real*8 dinteg(200) + data waveold /0.0/ + + +c*****set an arbitrary maximum # of wavelength points to compute +c the line profile + maxsteps = 100 + + +c*****get started; calculate an initial step size; wavestep only is +c*****used in synpop + if (imode .eq. 0) gf1(ncurve) = gf(lim1) + dellam(1) = 0. + if (wavestep .eq. 0.) then + st1 = wave1(lim1)*dopp(lim1,jtau5)/2.997929e10/5. + st1 = dfloat(ifix(10000.*sngl(st1)))/10000. + else + st1 = wavestep + endif + storig = st1 + + +c*****calculate continuous opacity and intensity/flux at line wavelength + wave = wave1(lim1) + if (abs(wave-waveold) .gt. 30.) then + waveold = wave + call opacit(2,wave) + if (imode.ne.2 .and. modprintopt.ge.2) + . write(nf1out,1002) wave,(kaplam(i),i=1,ntau) + call cdcalc(1) + first = 0.4343*cd(1) + flux = rinteg(xref,cd,dummy1,ntau,first) + if (imode .ne. 2) then + if (iunits .eq. 1) then + write (nf1out,1003) 1.d-4*wave,flux + else + write (nf1out,1004) wave,flux + endif + endif + endif + + +c*****check the wavelength step size; expand/contract as necessary + if (wavestep .eq. 0.) then + wave = wave1(lim1) + call taukap + call cdcalc(2) + first = 0.4343*cd(1) + d(1) = rinteg(xref,cd,dummy1,ntau,first) + do k=1,30 + if (k .eq. 30) then + write (*,1010) wave + stop + endif + wave = wave1(lim1) + 5.*st1 + call taukap + call cdcalc(2) + first = 0.4343*cd(1) + d(2) = rinteg(xref,cd,dummy1,ntau,first) + d2d1 = d(2)/d(1) + if (d2d1 .le. 0.2) then + st1 = st1/1.5 + elseif (d2d1 .le. 0.6) then + st1 = st1/1.2 + elseif (d2d1.gt.0.60 .and. d2d1.lt.0.80) then + if (imode .ne. 2) write (nf1out,1001) lim1, + . 1000.*width(lim1), storig, st1, k + exit + elseif (d2d1 .ge. 0.80) then + st1 = st1*1.6 + elseif (d2d1 .ge. 0.90) then + st1 = st1*2.1 + endif + st1 = dble(idnint(10000.*st1))/10000. + enddo + endif + + +c*****calculate wavelength dependent line quantities, and the line depth +c until the depth is very small in the line wing + wave = wave1(lim1) + do n=1,maxsteps + dellam(n) = (n-1)*st1 + wave = wave1(lim1) + dellam(n) + call taukap + call cdcalc(2) + first = 0.4343*cd(1) + d(n) = rinteg(xref,cd,dummy1,ntau,first) + if (linprintopt.ge.3 .and. n.eq.1 .and. imode.eq.2) then + do i=1,ntau + dummy1(i) = xref(i)*cd(i) + enddo + first = 0. + cdmean = rinteg(xref,dummy1,dummy2,ntau,first)/ + . rinteg(xref,cd,dummy2,ntau,first) + do i=1,ntau + if (cdmean .lt. cd(i)) exit + enddo + write (nf1out,1005) lim1, cdmean, i, xref(i) + do i=1,ntau + if (taunu(i)+taulam(i) .ge. 1.) exit + enddo + write (nf1out,1006) lim1, i, dlog10(tauref(i)), + . dlog10(taulam(i)), dlog10(taunu(i)) + endif + if (d(n)/d(1) .lt. 0.0050) then + ndepths = n + exit + endif + if (n .eq. maxsteps) then + if (d(n).gt.0.001 .and. imode.ne.2) then + write (nf1out,1007) + ndepths = maxsteps + endif + endif + enddo + + +c*****finish the calculation + if (imode .ne. 2) write (nf1out,1008) (d(j),j=1,ndepths) + do n=2,ndepths + d(ndepths+n-1) = d(n) + enddo + d(ndepths) = d(1) + do n=2,ndepths + d(n-1) = d(2*ndepths+1-n) + enddo + dellam(1) = -st1*(ndepths-1) + ndep = 2*ndepths - 1 + do n=2,ndep + dellam(n) = dellam(n-1) + st1 + enddo + first = 2*dellam(ndep)*d(ndep) + w(ncurve) = rinteg(dellam,d,dinteg,ndep,first) + if (imode .ne. 2) then + ew = 1000.0*w(ncurve) + gflog = dlog10(gf1(ncurve)) + rwlog = dlog10(w(ncurve)/wave1(lim1)) + write (nf1out,1009) wave1(lim1), ew, rwlog, gf1(ncurve), gflog + endif + return + + +c*****format statements +1001 format (/'LINE ', i5, ':', 5x, 'observed EW to match: ', f7.2/ + . 16x, 'lambda step initial, final: ', 2f7.4/ + . 16x, 'trials needed to decide this: ', i2) +1002 format (' kaplam from 1 to ntau at wavelength',f10.2/ + 1 (6(1pd12.4))) +1003 format ('AT WAVELENGTH/FREQUENCY =',f11.7, + . ' CONTINUUM FLUX/INTENSITY =',1p,d12.5) +1004 format ('AT WAVELENGTH/FREQUENCY =',f11.3, + . ' CONTINUUM FLUX/INTENSITY =',1p,d12.5) +1005 format (/'LINE ', i5, ':', + . ' weighted mean line contribution function C_d =', + . f6.2/ ' which occurs near level ', i3, + . ' with log tauref = ', f6.2) +1006 format (/'LINE ', i5, ':', + . ' tau(total) is greater than 1 at level',i3/ + . ' logs of tauref, taulam, taunu =', 3f6.2) +1007 format ('WARNING: not enough points to specify the line?') +1008 format (10f7.3) +1009 format ('lambda =',f12.3,5x,'E.W. =',f8.2,' mA.',5x, + . 'log(R.W.) =',f6.2/'gf =',1pd10.3,5x,'log(gf) =', + . 0pf7.2) +1010 format ('CANNOT DECIDE ON LINE WAVELENGTH ', + . 'STEP SIZE FOR', f10.2, ' I QUIT!') +1011 format ('original and final wavelength step size: ', 2f8.4) + + end + + diff --git a/OpacHelium.f b/OpacHelium.f new file mode 100755 index 0000000..b02fc91 --- /dev/null +++ b/OpacHelium.f @@ -0,0 +1,45 @@ + +c****************************************************************************** +c The subroutines needed to calculate the He- b-f and f-f opacities are in +c this file. These are from ATLAS9. +c****************************************************************************** + + + + + + subroutine opacHeminus +c****************************************************************************** +c This routine computes the He- bound-free and free-free opacities. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + save + data freq1 /0./ + + if (freq .ne. freq1) then + freq1 = freq + a1 = 3.397d-46 + (-5.216d-31+7.039d-15/freq)/freq + b1 = -4.116d-42 + ( 1.067d-26+8.135d-11/freq)/freq + cc = 5.081d-37 + (-8.724d-23-5.659d-08/freq)/freq + endif + + do i=1,ntau + aHeminus(i) = (a1*t(i) + b1 +c1/t(i))*ne(i)* + . numdens(2,1,i)/u(2,1,i) + enddo + + return + end + + + + + + + + + + diff --git a/OpacHydrogen.f b/OpacHydrogen.f new file mode 100755 index 0000000..a193fb9 --- /dev/null +++ b/OpacHydrogen.f @@ -0,0 +1,280 @@ +c****************************************************************************** +c The subroutines needed to calculate the H I b-f, H I f-f, H- b-f, and +c H- f-f opacities are in this file. These are from ATLAS9. +c****************************************************************************** + + + + + + subroutine opacH1 +c****************************************************************************** +c This routine computes the H- bound-free and free-free opacities. +c It returns the cross-section times the number density of H- particles. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + include 'Mol.com' + real*8 cont(8), bolt(100,8), exlim(100), freet(100), boltex(100) + save + data modcount/0/ + +c set up some data upon first entrance with a new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + do n=1,8 + xn2 = dfloat(n*n) + bolt(i,n) = dexp(-13.595*(1.-1./xn2)/tkev(i))*2.* + . xn2*numdens(1,1,i)/u(1,1,i) + enddo + freet(i) = ne(i)*numdens(1,2,i)/u(1,2,i)/dsqrt(t(i)) + xr = numdens(1,1,i)/u(1,1,i)*(2./2./13.595)*tkev(i) + boltex(i) = dexp(-13.427/tkev(i))*xr + exlim(i) = dexp(-13.595/tkev(i))*xr + enddo + endif + + do n=1,8 + cont(n) = coulx(n,freq,1.d0) + enddo + + freq3 = freq**3 + cfree = 3.6919d8/freq3 + c = 2.815d29/freq3 + do i=1,ntau + ex = boltex(i) + if (freq .lt. 4.05933d13) ex = exlim(i)/evhkt(i) + h = (cont(7)*bolt(i,7) + cont8*bolt(i,8) + + . (ex - exlim(i))*c + + . coulff(1,tlog(i),freq)*freet(i)*cfree)*(1.-evhkt(i)) + do n=1,6 + h = h + cont(n)*bolt(i,n)*(1.-evhkt(i)) + enddo + aH1(i) = h + enddo + + return + end + + + + + + + subroutine opacHminus +c****************************************************************************** +c This routine computes the H- bound-free and free-free opacities. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 wbf(85), bf(85), fflog(22,11), ff(11,22) + real*8 ffbeg(11,11), ffend(11,11), fftt(11), wfflog(22) + real*8 fftheta(100), thetaff(11), wavek(22) + real*8 xhmin(100) + equivalence (ff(1,1),ffbeg(1,1)), (ff(1,12),ffend(1,1)) + save +c From Mathisen (1984), after Wishart (1979) and Broad & Reinhardt (1976) + data wbf/ 18.00, 19.60, 21.40, 23.60, 26.40, 29.80, 34.30, + . 40.40, 49.10, 62.60, 111.30, 112.10, 112.67, 112.95, 113.05, + . 113.10, 113.20, 113.23, 113.50, 114.40, 121.00, 139.00, 164.00, + . 175.00, 200.00, 225.00, 250.00, 275.00, 300.00, 325.00, 350.00, + . 375.00, 400.00, 425.00, 450.00, 475.00, 500.00, 525.00, 550.00, + . 575.00, 600.00, 625.00, 650.00, 675.00, 700.00, 725.00, 750.00, + . 775.00, 800.00, 825.00, 850.00, 875.00, 900.00, 925.00, 950.00, + . 975.00,1000.00,1025.00,1050.00,1075.00,1100.00,1125.00,1150.00, + . 1175.00,1200.00,1225.00,1250.00,1275.00,1300.00,1325.00,1350.00, + . 1375.00,1400.00,1425.00,1450.00,1475.00,1500.00,1525.00,1550.00, + . 1575.00,1600.00,1610.00,1620.00,1630.00,1643.91/ + data bf/ 0.067, 0.088, 0.117, 0.155, 0.206, 0.283, 0.414, + . 0.703, 1.24, 2.33, 11.60, 13.90, 24.30, 66.70, 95.00, + . 56.60, 20.00, 14.60, 8.50, 7.10, 5.43, 5.91, 7.29, + . 7.918, 9.453, 11.08, 12.75, 14.46, 16.19, 17.92, 19.65, + . 21.35, 23.02, 24.65, 26.24, 27.77, 29.23, 30.62, 31.94, + . 33.17, 34.32, 35.37, 36.32, 37.17, 37.91, 38.54, 39.07, + . 39.48, 39.77, 39.95, 40.01, 39.95, 39.77, 39.48, 39.06, + . 38.53, 37.89, 37.13, 36.25, 35.28, 34.19, 33.01, 31.72, + . 30.34, 28.87, 27.33, 25.71, 24.02, 22.26, 20.46, 18.62, + . 16.74, 14.85, 12.95, 11.07, 9.211, 7.407, 5.677, 4.052, + . 2.575, 1.302, 0.8697, 0.4974, 0.1989, 0. / +C Bell and Berrington (1987, J.Phys.B, 20, 801-806) + data wavek/ .50,.40,.35,.30,.25,.20,.18,.16,.14,.12,.10,.09,.08, + . .07,.06,.05,.04,.03,.02,.01,.008,.006/ + data thetaff/ + . 0.5, 0.6, 0.8, 1.0, 1.2, 1.4, 1.6, 1.8, 2.0, 2.8, 3.6/ + data ffbeg/ + ..0178,.0222,.0308,.0402,.0498,.0596,.0695,.0795,.0896, .131, .172, 1823 + ..0228,.0280,.0388,.0499,.0614,.0732,.0851,.0972, .110, .160, .211, 2278 + ..0277,.0342,.0476,.0615,.0760,.0908, .105, .121, .136, .199, .262, 2604 + ..0364,.0447,.0616,.0789,.0966, .114, .132, .150, .169, .243, .318, 3038 + ..0520,.0633,.0859, .108, .131, .154, .178, .201, .225, .321, .418, 3645 + ..0791,.0959, .129, .161, .194, .227, .260, .293, .327, .463, .602, 4557 + ..0965, .117, .157, .195, .234, .272, .311, .351, .390, .549, .711, 5063 + . .121, .146, .195, .241, .288, .334, .381, .428, .475, .667, .861, 5696 + . .154, .188, .249, .309, .367, .424, .482, .539, .597, .830, 1.07, 6510 + . .208, .250, .332, .409, .484, .557, .630, .702, .774, 1.06, 1.36, 7595 + . .293, .354, .468, .576, .677, .777, .874, .969, 1.06, 1.45, 1.83/ 9113 + data ffend/ + . .358, .432, .572, .702, .825, .943, 1.06, 1.17, 1.28, 1.73, 2.17, 10126 + . .448, .539, .711, .871, 1.02, 1.16, 1.29, 1.43, 1.57, 2.09, 2.60, 11392 + . .579, .699, .924, 1.13, 1.33, 1.51, 1.69, 1.86, 2.02, 2.67, 3.31, 13019 + . .781, .940, 1.24, 1.52, 1.78, 2.02, 2.26, 2.48, 2.69, 3.52, 4.31, 15189 + . 1.11, 1.34, 1.77, 2.17, 2.53, 2.87, 3.20, 3.51, 3.80, 4.92, 5.97, 18227 + . 1.73, 2.08, 2.74, 3.37, 3.90, 4.50, 5.01, 5.50, 5.95, 7.59, 9.06, 22784 + . 3.04, 3.65, 4.80, 5.86, 6.86, 7.79, 8.67, 9.50, 10.3, 13.2, 15.6, 30378 + . 6.79, 8.16, 10.7, 13.1, 15.3, 17.4, 19.4, 21.2, 23.0, 29.5, 35.0, 45567 + . 27.0, 32.4, 42.6, 51.9, 60.7, 68.9, 76.8, 84.2, 91.4, 117., 140., 91134 + . 42.3, 50.6, 66.4, 80.8, 94.5, 107., 120., 131., 142., 183., 219., 113918 + . 75.1, 90.0, 118., 144., 168., 191., 212., 234., 253., 325., 388./ 151890 + data (xhmin(i),i=1,100)/100*0.0/ + data modcount,istart/ 0,0/ + +c fill some arrays once and for all + if (istart .eq. 0) then + istart = 1 +c 91.134 number taken from Bell & Berrington + do iwave=1,22 + wfflog(iwave) = dlog(91.134d0/wavek(iwave)) + do itheta=1,11 + fflog(iwave,itheta) = dlog(ff(itheta,iwave)*1.d-26) + enddo + enddo + endif + +c initialize some quantities for each new model atmosphere +c .754209 Hotop & Lineberger (1985, J. Phys. Chem. Ref. Data, 14,731-752) + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + xhmin(i) = dexp(.754209/tkev(i))/(2.*2.4148d15*t(i)**1.5)* + . numdens(1,1,i)/u(1,1,i)*ne(i) + enddo + endif + +c main opacity computation yielding "aHminus" + wave = 2.99792458d17/freq + wavelog = dlog(wave) + do itheta=1,11 + nnnn = 22 + call linter (wfflog,fflog(1,itheta),nnnn,wavelog,fftlog,1) + fftt(itheta) = dexp(fftlog)/thetaff(itheta)*5040.*1.380658E-16 + enddo + hminbf = 0. + nnnn = 85 + if (freq .gt. 1.82365d14) + . maxwave = map1(wbf,bf,nnnn,wave,hminbf,1) + do i=1,ntau + nnnn = 11 + call linter (thetaff,fftt,nnnn,theta(i),fftheta(i),1) + hminff = fftheta(i)*numdens(1,1,i)/u(1,1,i)*2.*ne(i) + h = hminbf*1.d-18*(1.-evhkt(i))*xhmin(i) + aHminus(i) = h + hminff + enddo + + return + end + + + + + + subroutine linter (xold,yold,nold,xnew,ynew,nnew) +c****************************************************************************** +c this is a linear interpolation scheme. The arrays "xold" and "xnew" +c should be increasing order. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*8 xold(*), yold(*), xnew(*), ynew(*) + + iold = 2 + do inew=1,nnew +1 if (xnew(inew).lt.xold(iold) .or. iold.eq.nold) then + ynew(inew) = yold(iold-1) + (yold(iold)-yold(iold-1))/ + . (xold(iold)-xold(iold-1))*(xnew(inew)-xold(iold-1)) + return + else + iold = iold + 1 + go to 1 + endif + enddo + + end + + + + + + + integer function map1 (xold,fold,nold,xnew,fnew,nnew) +c****************************************************************************** +c This is an interpolation scheme that is copied blindly from ATLAS. +c I decided that it would be too dangerous to re-write this one. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*8 xold(*), fold(*), xnew(*), fnew(*) + + l = 2 + ll = 0 + do 50 k=1,nnew +10 if(xnew(k) .lt. xold(l)) go to 20 + l = l + 1 + if (l .gt. nold) go to 30 + go to 10 +20 if (l .eq. ll) go to 50 + if (l .eq. 2) go to 30 + if (l .eq. 3) go to 30 + l1 = l - 1 + if (l.gt.ll+1 .or. l.eq.3) go to 21 + if (l.gt.ll+1 .or. l.eq.4) go to 21 + cbac = cfor + bbac = bfor + abac = afor + if (l .eq. nold) go to 22 + go to 25 +21 l2 = l - 2 + d = (fold(l1)-fold(l2))/(xold(l1)-xold(l2)) + cbac = fold(l)/((xold(l)-xold(l1))*(xold(l)-xold(l2)))+ + . (fold(l2)/(xold(l)-xold(l2))-fold(l1)/(xold(l)-xold(l1)))/ + . (xold(l1)-xold(l2)) + bbac = d - (xold(l1)+xold(l2))*cbac + abac = fold(l2) - xold(l2)*d + xold(l1)*xold(l2)*cbac + if (l .lt. nold) go to 25 +22 c = cbac + b = bbac + a = abac + ll = l + go to 50 +25 d = (fold(l)-fold(l1))/(xold(l)-xold(l1)) + cfor = fold(l+1)/((xold(l+1)-xold(l))*(xold(l+1)-xold(l1)))+ + . (fold(l1)/(xold(l+1)-xold(l1))-fold(l)/(xold(l+1)-xold(l)))/ + . (xold(L)-xold(l1)) + bfor = d - (xold(l)+xold(l1))*cfor + afor = fold(l1) - xold(l1)*d + xold(l)*xold(l1)*cfor + wt = 0. + if (dabs(cfor) .ne. 0.) wt = dabs(cfor)/(dabs(cfor)+dabs(cbac)) + a = afor + wt*(abac-afor) + b = bfor + wt*(bbac-bfor) + c = cfor + wt*(cbac-cfor) + ll = l + go to 50 +30 if (l .eq. ll) go to 50 + l = min0(nold,l) + c = 0. + b = (fold(l)-fold(l-1))/(xold(l)-xold(l-1)) + a = fold(l) - xold(l)*b + ll = l +50 fnew(k)= a + (b + c*xnew(k))*xnew(k) + + map1 = ll - 1 + return + end + + + + diff --git a/Opaccouls.f b/Opaccouls.f new file mode 100755 index 0000000..3c4f59d --- /dev/null +++ b/Opaccouls.f @@ -0,0 +1,121 @@ + +c****************************************************************************** +c This file contains the functions coulx, coulbf1s, and coulff; these +c routines are used by the continuous opacity routines. +c****************************************************************************** + + + + real*8 function coulx (n,freq,z) +c****************************************************************************** +c This is function COULX from ATLAS. +c******************************************************************************` + + implicit real*8 (a-h,o-z) + real*8 a(6), b(6), c(6) + data a/ 0.9916, 1.105, 1.101, 1.101, 1.102, 1.0986/ + data b/ 2.719d13, -2.375d14, -9.863d13, -5.765d13, -3.909d13, + . -2.704d13/ + data c/ -2.268d30, 4.077d28, 1.035d28, 4.593d27, 2.371d27, + . 1.229d27/ + + if (freq .lt. z*z*3.28805d15/dfloat(n*n)) then + coulx = 0. + else + coulx = 2.815d29/freq**3/dfloat(n**5)*z**4 + if (n .gt. 6) return + if (n .eq. 1) then + coulx = coulx*coulbf1s(freq,z) + else + coulx = coulx*(a(n)+(b(n)+c(n)*(z*z/freq))*(z*z/freq)) + endif + endif + + return + end + + + + + + real*8 function coulbf1s (freq,z) +c****************************************************************************** +c This is function COULBF1S from ATLAS. +c******************************************************************************` + + implicit real*8 (a-h,o-z) + real*8 gaunt1s(151) + data gaunt1s/ + . 0.7973,0.8094,0.8212,0.8328,0.8439,0.8548,0.8653,0.8754,0.8852, + . 0.8946,0.9035,0.9120,0.9201,0.9278,0.9351,0.9420,0.9484,0.9544, + . 0.9601,0.9653,0.9702,0.9745,0.9785,0.9820,0.9852,0.9879,0.9903, + . 0.9922,0.9938,0.9949,0.9957,0.9960,0.9960,0.9957,0.9949,0.9938, + . 0.9923,0.9905,0.9884,0.9859,0.9832,0.9801,0.9767,0.9730,0.9688, + . 0.9645,0.9598,0.9550,0.9499,0.9445,0.9389,0.9330,0.9269,0.9206, + . 0.9140,0.9071,0.9001,0.8930,0.8856,0.8781,0.8705,0.8627,0.8546, + . 0.8464,0.8381,0.8298,0.8213,0.8128,0.8042,0.7954,0.7866,0.7777, + . 0.7685,0.7593,0.7502,0.7410,0.7318,0.7226,0.7134,0.7042,0.6951, + . 0.6859,0.6767,0.6675,0.6584,0.6492,0.6401,0.6310,0.6219,0.6129, + . 0.6039,0.5948,0.5859,0.5769,0.5680,0.5590,0.5502,0.5413,0.5324, + . 0.5236,0.5148,0.5063,0.4979,0.4896,0.4814,0.4733,0.4652,0.4572, + . 0.4493,0.4415,0.4337,0.4261,0.4185,0.4110,0.4035,0.3962,0.3889, + . 0.3818,0.3749,0.3680,0.3611,0.3544,0.3478,0.3413,0.3348,0.3285, + . 0.3222,0.3160,0.3099,0.3039,0.2980,0.2923,0.2866,0.2810,0.2755, + . 0.2701,0.2648,0.2595,0.2544,0.2493,0.2443,0.2394,0.2345,0.2298, + . 0.2251,0.2205,0.2160,0.2115,0.2072,0.2029,0.1987/ + + if (freq/z**2 .lt. 3.28805d15) then + coulbf1s = 0. + else + elog = log10(freq/z**2/3.28805d15) + i = elog/0.02 + i = max(min(i+1,150),1) + coulbf1s = gaunt1s(i) + + . (gaunt1s(i+1)-gaunt1s(i))/0.02*(elog-(i-1)*0.02) + endif + + return + end + + + + + + + real*8 function coulff (nz,tlog,freq) +c****************************************************************************** +c This is function COULFF from ATLAS. +c******************************************************************************` + + implicit real*8 (a-h,o-z) + real*8 z4log(6), a(11,12) + data z4log/ 0., 1.20412, 1.90849, 2.40824, 2.79588, 3.11261/ + data a/ + . 5.53,5.49,5.46,5.43,5.40,5.25,5.00,4.69,4.48,4.16,3.85, + . 4.91,4.87,4.84,4.80,4.77,4.63,4.40,4.13,3.87,3.52,3.27, + . 4.29,4.25,4.22,4.18,4.15,4.02,3.80,3.57,3.27,2.98,2.70, + . 3.64,3.61,3.59,3.56,3.54,3.41,3.22,2.97,2.70,2.45,2.20, + . 3.00,2.98,2.97,2.95,2.94,2.81,2.65,2.44,2.21,2.01,1.81, + . 2.41,2.41,2.41,2.41,2.41,2.32,2.19,2.02,1.84,1.67,1.50, + . 1.87,1.89,1.91,1.93,1.95,1.90,1.80,1.68,1.52,1.41,1.30, + . 1.33,1.39,1.44,1.49,1.55,1.56,1.51,1.42,1.33,1.25,1.17, + . 0.90,0.95,1.00,1.08,1.17,1.30,1.32,1.30,1.20,1.15,1.11, + . 0.55,0.58,0.62,0.70,0.85,1.01,1.15,1.18,1.15,1.11,1.08, + . 0.33,0.36,0.39,0.46,0.59,0.76,0.97,1.09,1.13,1.10,1.08, + . 0.19,0.21,0.24,0.28,0.38,0.53,0.76,0.96,1.08,1.09,1.09/ + + gamlog = 10.39638 - tlog/1.15129 + z4log(nz) + igam = max0(min0(int(gamlog+7.),10),1) + hvktlg = (dlog(freq) - tlog)/1.15129 - 20.63764 + ihvkt = max0(min0(int(hvktlg+9.),11),1) + p = gamlog - dfloat(igam-7) + q = hvktlg - dfloat(ihvkt-9) + coulff = (1.-p)*((1.-q)*a(igam,ihvkt) + q*a(igam,ihvkt+1)) + + . p*((1.-q)*a(igam+1,ihvkt) + q*a(igam+1,ihvkt+1)) + + return + end + + + + diff --git a/Opacit.f b/Opacit.f new file mode 100755 index 0000000..97ee3c9 --- /dev/null +++ b/Opacit.f @@ -0,0 +1,154 @@ + + subroutine opacit (modeop,waveop) +c****************************************************************************** +c This routine calculates the continuous opacity *kaplam* or +c *kapref* and optical depth *taulam* as needed. the formulas are +c ones lifted from the write-up of program *atlas* +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + include 'Dummy.com' + real*8 taucheck(100), tauinteg(100) + + +c*****initialization + freq = 2.997925d18/waveop + freqlg = dlog(freq) + do i = 1,ntau + hkt = 6.6256d-27/(1.38065d-16*t(i)) + evhkt(i) = dexp(-freq*hkt) + enddo + do i=1,ntau + aH1(i) = 1.d-99 + aHminus(i) = 1.d-99 + aHeminus(i) = 1.d-99 + aC1(i) = 1.d-99 + aMg1(i) = 1.d-99 + aMg2(i) = 1.d-99 + aAl1(i) = 1.d-99 + aSi1(i) = 1.d-99 + aSi2(i) = 1.d-99 + aFe1(i) = 1.d-99 + enddo + + +c*****compute the opacities + call opacH1 + call opacHminus + call opacHscat + call opacH2scat + call opacHeminus + call opacHescat + call opacescat + call opacC1 + call opacMg1 + call opacMg2 + call opacAl1 + call opacSi1 + call opacSi2 + call opacFe1 + + +c*****sum up all the opacities + do i=1,ntau + kaplamabs(i) = aH1(i) + aHminus(i) + aHeminus(i) + aC1(i) + + . aMg1(i) + aMg2(i) + aAl1(i) + aSi1(i) + + . aSi2(i) + aFe1(i) + kaplamsca(i) = sigH(i) + sigH2(i) + sigHe(i) + sigel(i) + kaplam(i) = kaplamabs(i) + kaplamsca(i) + enddo + + +c*****write out the opacities + if (modprintopt .gt. 1) then + write (nf1out,1001) waveop + do i=1,ntau + write (nf1out,1002) i, nint(t(i)), dlog10(kaplam(i)), + . dlog10(aH1(i)), dlog10(aHminus(i)), dlog10(sigH(i)), + . dlog10(aHeminus(i)), dlog10(sigHe(i)), dlog10(sigel(i)), + . dlog10(sigH2(i)) + enddo + write (nf1out,1003) waveop + do i=1,ntau + write (nf1out,1002) i, nint(t(i)), dlog10(kaplam(i)), + . dlog10(aC1(i)), dlog10(aMg1(i)), dlog10(aMg2(i)), + . dlog10(aAl1(i)), dlog10(aSi1(i)), dlog10(aSi2(i)), + . dlog10(aFe1(i)) + enddo + endif + + +c*****add in an arbitrary amount of "extra" continuous opacity; +c this is a pure fudge factor, so experiment with care + if (fudge .gt. 0.0) then + do i=1,ntau + kaplam(i) = kaplam(i)*((fudge*10000)/t(i)) + if (i .eq. 1) then + write(nf1out,1005) + write(nf1out,1006) fudge + endif + enddo + endif + + +c*****compute an optical depth array at this wavelength, and exit + if (modeop .ne. 1) then + do i=1,ntau + dummy1(i) = tauref(i)*kaplam(i)/(0.4343*kapref(i)) + enddo + first = tauref(1)*kaplam(1)/kapref(1) + dummy1(1) = rinteg(xref,dummy1,taulam,ntau,first) + taulam(1) = first + do i=2,ntau + taulam(i) = taulam(i-1) + taulam(i) + enddo + if (modprintopt .gt. 1) write(nf1out,1004) (taulam(i),i=1,ntau) + return + endif + + +c*****here is the assignment of opacities kaplam to kapref; exit normally + do i=1,ntau + kapref(i) = kaplam(i) + enddo + if(modprintopt .lt. 2) return + + +c*****here is an internal tauref check on the externally read in tau scale; +c then exit normally + do i=1,ntau + dummy1(i) = dlog10(tauref(i)) + tauinteg(i) = tauref(i)*kaplam(i)/(0.4343*kapref(i)) + enddo + first = tauref(1) + tauinteg(1) = rinteg(dummy1,tauinteg,taucheck,ntau,first) + taucheck(1) = first + do i=2,ntau + taucheck(i) = taucheck(i-1) + taucheck(i) + enddo + write (nf1out,1004) (taucheck(i),i=1,ntau) + return + + +c*****format statements +1001 format (/'log opacities due to H, He, e- at a wavelength of ', + . f10.2,' A'/' i T(i) kaplam aH1 aH- sigH', + . ' aHe- sigHe sigel sigH2') +1002 format (i2,i6,10f8.2) +1003 format (/'log opacities due to "metal" edges at a wavelength', + . ' of ',f10.2,' A'/' i T(i) kaplam aC1 aMg1', + . ' aMg2 aAl1 aSi1 aSi2 aFe1') +1004 format(/'COMPUTED TAULAM ARRAY'/(1p7e11.3)) +1005 format ('Opacities artificially are now ', + . 'altered by scaling law of: ') +1006 format (' kaplam(i) = kaplam(i) * ', + . '((', f6.2, ' * 10000)/t(i))') + + + end + + + + diff --git a/Opacmetals.f b/Opacmetals.f new file mode 100755 index 0000000..41a24e1 --- /dev/null +++ b/Opacmetals.f @@ -0,0 +1,504 @@ + +c****************************************************************************** +c The subroutines needed to calculate the Mg I, Mg II, Al I, Si I, Si II, +c and Fe I b-f opacities are in this file. These are from ATLAS9. +c****************************************************************************** + + + + + + subroutine opacC1 +c****************************************************************************** +c This routine computes the bound-free absorption due to C I. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 c1240(100), c1444(100) + save + data freq1, modcount/0. ,0/ + +c initialize some quantities for each new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + c1240(i) = 5.*dexp(-1.264/tkev(i)) + c1444(i) = dexp(-2.683/tkev(i)) + enddo + endif + +c initialize some quantities for each new model atmosphere or new frequency; +c Luo, D. and Pradhan, A.K. 1989, J.Phys. B, 22, 3377-3395. +c Burke, P.G. and Taylor, K.T. 1979, J. Phys. B, 12, 2971-2984. + if (modelnum.ne.modcount .or. freq.ne.freq1) then + freq1 = freq + ryd = 109732.298 + waveno = freq/2.99792458d10 + xs0 = 0. + xs1 = 0. + xd0 = 0. + xd1 = 0. + xd2 = 0. + x1444 = 0. + x1240 = 0. + x1100 = 0. +c P2 3P 1 +c I AM NOT SURE WHETHER THE CALL TO SEATON IN THE NEXT STATEMENT IS +c CORRECT, BUT IT ONLY AFFECTS THINGS BELOW 1100A + if (freq .ge. 2.7254d15) x1100 = + . 10.**(-16.80-(waveno-90777.000)/3./ryd)* + . seaton (2.7254d15,1.219d-17,2.d0,3.317d0) +c P2 1D 2 + if (freq .ge. 2.4196d15) then + xd0 = 10.**(-16.80-(waveno-80627.760)/3./ryd) + eeps = (waveno-93917.)*2./9230. + aa = 22.d-18 + bb = 26.d-18 + xd1 = (aa*eeps+bb)/(eeps**2+1.) + eeps = (waveno-111130.)*2./2743. + aa = -10.5d-18 + bb = 46.d-18 + xd2 = (aa*eeps+bb)/(eeps**2+1.) + x1240 = xd0 + xd1 + xd2 + endif +c P2 1S 3 + if (freq .ge. 2.0761d15) then + xs0 = 10.**(-16.80-(waveno-69172.400)/3./ryd) + eeps = (waveno-97700.)*2./2743. + aa = 68.d-18 + bb = 118.d-18 + xs1 = (aa*eeps+bb)/(eeps**2+1.) + x1444 = xs0 + xs1 + endif + endif + + do i=1,ntau + if (freq .ge. 2.0761d15) then + aC1(i) = (x1100*9. + x1240*c1240(i) + x1444*c1444(i))* + . numdens(3,1,i)/u(6,1,i) + endif + enddo + + return + end + + + + + + + + + subroutine opacMg1 +c****************************************************************************** +c This routine computes the bound-free absorption due to Mg I. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 flog(9), freqMg(7), peach(7,15), xx(7), tlg(7) + real*8 dt(100) + integer nt(100) + save + data peach/ +c 4000 5000 6000 7000 8000 9000 10000 + . -42.474, -42.350, -42.109, -41.795, -41.467, -41.159, -40.883, + . -41.808, -41.735, -41.582, -41.363, -41.115, -40.866, -40.631, + . -41.273, -41.223, -41.114, -40.951, -40.755, -40.549, -40.347, + . -45.583, -44.008, -42.957, -42.205, -41.639, -41.198, -40.841, + . -44.324, -42.747, -41.694, -40.939, -40.370, -39.925, -39.566, + . -50.969, -48.388, -46.630, -45.344, -44.355, -43.568, -42.924, + . -50.633, -48.026, -46.220, -44.859, -43.803, -42.957, -42.264, + . -53.028, -49.643, -47.367, -45.729, -44.491, -43.520, -42.736, + . -51.785, -48.352, -46.050, -44.393, -43.140, -42.157, -41.363, + . -52.285, -48.797, -46.453, -44.765, -43.486, -42.480, -41.668, + . -52.028, -48.540, -46.196, -44.507, -43.227, -42.222, -41.408, + . -52.384, -48.876, -46.513, -44.806, -43.509, -42.488, -41.660, + . -52.363, -48.856, -46.493, -44.786, -43.489, -42.467, -41.639, + . -54.704, -50.772, -48.107, -46.176, -44.707, -43.549, -42.611, + . -54.359, -50.349, -47.643, -45.685, -44.198, -43.027, -42.418/ + data freqMg/ 1.9341452d15, 1.8488510d15, 1.1925797d15, + . 7.9804046d14, 4.5772110d14, 4.1440977d14, + . 4.1113514d14/ + data flog/ 35.23123, 35.19844, 35.15334, 34.71490, 34.31318, + . 33.75728, 33.65788, 33.64994, 33.43947/ + data tlg/ 8.29405, 8.51719, 8.69951, 8.85367, 8.98720, 9.10498, + . 9.21034/ + data freq1, modcount/0. ,0/ + +c initialize some quantities for each new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + n = max0(min0(6,nint(t(i)/1000.)-3),1) + nt(i) = n + dt(i) = (tlog(i)-tlg(n))/(tlg(n+1)-tlg(n)) + enddo + endif + +c initialize some quantities for each new model atmosphere or new frequency; + if (modelnum.ne.modcount .or. freq.ne.freq1) then + freq1 = freq + do n=1,7 + if (freq .gt. freqMg(n)) go to 23 + enddo + n = 8 +23 dd = (freqlg-flog(n))/(flog(n+1)-flog(n)) + if (n .gt. 2) n = 2*n -2 + dd1 = 1.0 - dd + do it=1,7 + xx(it) = peach(it,n+1)*dd + peach(it,n)*dd1 + enddo + endif + + do i=1,ntau + if (freq .ge. 2.997925d+14) then + n = nt(i) + aMg1(i) = dexp(xx(n)*(1.d0-dt(i))+xx(n+1)*dt(i))* + . numdens(4,1,i)/u(12,1,i) + endif + enddo + + return + end + + + + + + + + subroutine opacMg2 +c****************************************************************************** +c This routine computes the bound-free absorption due to Mg II. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 c1169(100) + save + data freq1, modcount/0. ,0/ + +c initialize some quantities for each new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + c1169(i) = 6.*dexp(-4.43d+0/tkev(i)) + enddo + endif + +c initialize some quantities for each new model atmosphere or new frequency; +c there are two edges, one at 824 A and the other at 1169 A + if (modelnum.ne.modcount .or. freq.ne.freq1) then + freq1 = freq + if (freq .ge. 3.635492d15) then + x824 = seaton (3.635492d15,1.40d-19,4.d0,6.7d0) + else + x824 = 1.d-99 + endif + if (freq .ge. 2.564306d15) then + x1169 = 5.11d-19*(2.564306d15/freq)**3 + else + x1169 = 1.d-99 + endif + endif + + do i=1,ntau + if (x1169 .ge. 1.d-90) then + aMg2(i) = (x824*2. + x1169*c1169(i))* + . numdens(4,2,i)/u(12,2,i) + endif + enddo + + return + end + + + + + + + + + subroutine opacAl1 +c****************************************************************************** +c This routine computes the bound-free absorption due to Al I. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + + do i=1,ntau + if (freq .ge. 1.443d15) then + aAl1(i) = 6.5d-17*(1.443d15/freq)**5*6.* + . numdens(5,1,i)/u(13,1,i) + endif + enddo + + return + end + + + + + + + + + + subroutine opacSi1 +c****************************************************************************** +c This routine computes the bound-free absorption due to Si I. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 flog(11), freqSi(9), xx(9), tlg(9), dt(100) + integer nt(100) + real*8 peach(9,19) + save + data peach/ +c 4000 5000 6000 7000 8000 9000 10000 11000 12000 + . 38.136,38.138,38.140,38.141,38.143,38.144,38.144,38.145,38.145, + . 37.834,37.839,37.843,37.847,37.850,37.853,37.855,37.857,37.858, + . 37.898,37.898,37.897,37.897,37.897,37.896,37.895,37.895,37.894, + . 40.737,40.319,40.047,39.855,39.714,39.604,39.517,39.445,39.385, + . 40.581,40.164,39.893,39.702,39.561,39.452,39.366,39.295,39.235, + . 45.521,44.456,43.753,43.254,42.878,42.580,42.332,42.119,41.930, + . 45.520,44.455,43.752,43.251,42.871,42.569,42.315,42.094,41.896, + . 55.068,51.783,49.553,47.942,46.723,45.768,44.997,44.360,43.823, + . 53.868,50.369,48.031,46.355,45.092,44.104,43.308,42.652,42.100, + . 54.133,50.597,48.233,46.539,45.261,44.262,43.456,42.790,42.230, + . 54.051,50.514,48.150,46.454,45.176,44.175,43.368,42.702,42.141, + . 54.442,50.854,48.455,46.733,45.433,44.415,43.592,42.912,42.340, + . 54.320,50.722,48.313,46.583,45.277,44.251,43.423,42.738,42.160, + . 55.691,51.965,49.444,47.615,46.221,45.119,44.223,43.478,42.848, + . 55.661,51.933,49.412,47.582,46.188,45.085,44.189,43.445,42.813, + . 55.973,52.193,49.630,47.769,46.349,45.226,44.314,43.555,42.913, + . 55.922,52.141,49.577,47.715,46.295,45.172,44.259,43.500,42.858, + . 56.828,52.821,50.110,48.146,46.654,45.477,44.522,43.730,43.061, + . 56.657,52.653,49.944,47.983,46.491,45.315,44.360,43.569,42.901/ +c 3P, 1D, 1S, 1D, 3D, 3F, 1D, 3P + data freqSi/ 2.1413750d15, 1.9723165d15, 1.7879689d15, + . 1.5152920d15, 5.5723927d14, 5.3295914d14, + . 4.7886458d14, 4.7216422d14, 4.6185133d14/ + data flog/ 35.45438, 35.30022, 35.21799, 35.11986, 34.95438, + . 33.95402, 33.90947, 33.80244, 33.78835, 33.76626, + . 33.70518/ + data tlg/ 8.29405, 8.51719, 8.69951, 8.85367, 8.98720, 9.10498, + . 9.21034, 9.30565, 9.39266/ + data freq1, modcount/0. ,0/ + +c initialize some quantities for each new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + n = max0(min0(8,nint(t(i)/1000.)-3),1) + nt(i) = n + dt(i) = (tlog(i)-tlg(n))/(tlg(n+1)-tlg(n)) + enddo + endif + +c initialize some quantities for each new model atmosphere or new frequency + if (modelnum.ne.modcount .or. freq.ne.freq1) then + freq1 = freq + do n=1,9 + if (freq .gt. freqSi(n)) go to 23 + enddo + n = 10 +23 dd = (freqlg-flog(n))/(flog(n+1)-flog(n)) + if (n .gt. 2) n = 2*n - 2 + dd1 = 1.0 - dd + do it=1,9 + xx(it) = peach(it,n+1)*dd + peach(it,n)*dd1 + enddo + endif + + do i=1,ntau + if (freq .ge. 2.997925d+14) then + n = nt(i) + aSi1(i) = (dexp(-(xx(n)*(1.-dt(i)) + xx(n+1)*dt(i)))*9.)* + . numdens(6,1,i)/u(14,1,i) + endif + enddo + + return + end + + + + + + + subroutine opacSi2 +c****************************************************************************** +c This routine computes the bound-free absorption due to Si II. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 flog(9), freqSi(7), peach(6,14), xx(6), tlg(6), dt(100) + integer nt(100) + save + data peach/ +c 10000 12000 14000 16000 18000 20000 + . -43.8941, -43.8941, -43.8941, -43.8941, -43.8941, -43.8941, + . -42.2444, -42.2444, -42.2444, -42.2444, -42.2444, -42.2444, + . -40.6054, -40.6054, -40.6054, -40.6054, -40.6054, -40.6054, + . -54.2389, -52.2906, -50.8799, -49.8033, -48.9485, -48.2490, + . -50.4108, -48.4892, -47.1090, -46.0672, -45.2510, -44.5933, + . -52.0936, -50.0741, -48.5999, -47.4676, -46.5649, -45.8246, + . -51.9548, -49.9371, -48.4647, -47.3340, -46.4333, -45.6947, + . -54.2407, -51.7319, -49.9178, -48.5395, -47.4529, -46.5709, + . -52.7355, -50.2218, -48.4059, -47.0267, -45.9402, -45.0592, + . -53.5387, -50.9189, -49.0200, -47.5750, -46.4341, -45.5082, + . -53.2417, -50.6234, -48.7252, -47.2810, -46.1410, -45.2153, + . -53.5097, -50.8535, -48.9263, -47.4586, -46.2994, -45.3581, + . -54.0561, -51.2365, -49.1980, -47.6497, -46.4302, -45.4414, + . -53.8469, -51.0256, -48.9860, -47.4368, -46.2162, -45.2266/ + data freqSi/ 4.9965417d15, 3.9466738d15, 1.5736321d15, + . 1.5171539d15, 9.2378947d14, 8.3825004d14, + . 7.6869872d14/ +c 2P, 2D, 2P, 2D, 2P + data flog/ 36.32984, 36.14752, 35.91165, 34.99216, 34.95561, + . 34.45951, 34.36234, 34.27572, 34.20161/ + data tlg/ 9.21034, 9.39266, 9.54681, 9.68034, 9.79813, 9.90349/ + data freq1, modcount/0., 0/ + +c set up some data upon first entrance with a new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + n = max0(min0(5,nint(t(i)/2000.)-4),1) + nt(i) = n + dt(i) = (tlog(i)-tlg(n))/(tlg(n+1)-tlg(n)) + enddo + endif + +c initialize some quantities for each new model atmosphere or new frequency + if (modelnum.ne.modcount .or. freq.ne.freq1) then + freq1 = freq + do n=1,7 + if (freq .gt. freqSi(n)) go to 23 + enddo + n = 8 +23 dd = (freqlg-flog(n))/(flog(n+1)-flog(n)) + if (n .gt. 2) n = 2*n - 2 + if (n .eq. 14) n = 13 + dd1 = 1.0 - dd + do it=1,6 + xx(it) = peach(it,n+1)*dd + peach(it,n)*dd1 + enddo + endif + + do i=1,ntau + if (freq .ge. 7.6869872d14) then + n = nt(i) + aSi2(i) = (dexp(xx(n)*(1.-dt(i)) + xx(n+1)*dt(i))*6.)* + . numdens(6,2,i)/u(14,2,i) + endif + enddo + + return + end + + + + + + + + subroutine opacFe1 +c****************************************************************************** +c This routine computes the bound-free absorption due to Fe I. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + real*8 bolt(48,100), gg(48), ee(48), wno(48), xsect(48) + save + data gg/25.,35.,21.,15.,9.,35.,33.,21.,27.,49.,9.,21.,27.,9.,9., + . 25.,33.,15.,35.,3.,5.,11.,15.,13.,15.,9.,21.,15.,21.,25.,35., + . 9.,5.,45.,27.,21.,15.,21.,15.,25.,21.,35.,5.,15.,45.,35.,55.,25./ + data ee/500.,7500.,12500.,17500.,19000.,19500.,19500.,21000., + . 22000.,23000.,23000.,24000.,24000.,24500.,24500.,26000.,26500., + . 26500.,27000.,27500.,28500.,29000.,29500.,29500.,29500.,30000., + . 31500.,31500.,33500.,33500.,34000.,34500.,34500.,35000.,35500., + . 37000.,37000.,37000.,38500.,40000.,40000.,41000.,41000.,43000., + . 43000.,43000.,43000.,44000./ + data wno/63500.,58500.,53500.,59500.,45000.,44500.,44500.,43000., + . 58000.,41000.,54000.,40000.,40000.,57500.,55500.,38000.,57500., + . 57500.,37000.,54500.,53500.,55000.,34500.,34500.,34500.,34000., + . 32500.,32500.,32500.,32500.,32000.,29500.,29500.,31000.,30500., + . 29000.,27000.,54000.,27500.,24000.,47000.,23000.,44000.,42000., + . 42000.,21000.,42000.,42000./ + data freq1, modcount/0., 0/ + +c set up some data upon first entrance with a new model atmosphere + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + hkt = 6.6256d-27/(1.38065d-16*t(i)) + do k=1,48 + bolt(k,i) = gg(k)*dexp(-ee(k)*2.99792458d10*hkt) + enddo + enddo + endif + +c initialize some quantities for each new model atmosphere or new frequency; +c the absorption begins at 4762 A. + if (modelnum.ne.modcount .or. freq.ne.freq1) then + freq1 = freq + waveno = freq/2.99792458d10 + if (waveno .ge. 21000.) then + do k=1,48 + xsect(k) = 0. + if (wno(k) .lt. waveno) xsect(k)= 3.d-18/ + . (1.+((wno(k)+3000.-waveno)/wno(k)/.1)**4) + enddo + endif + endif + + do i=1,ntau + if (waveno .ge. 21000.) then + do k=1,48 + aFe1(i) = aFe1(i) + xsect(k)*bolt(k,i)* + . numdens(7,1,i)/u(26,1,i) + enddo + endif + + enddo + + return + end + + + + + + + + real*8 function seaton (freq0,xsect,power,a) +c****************************************************************************** +c This function is a general representation for b-f absorption above +c a given ionization limit freq0, using cross-section xsect, +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Kappa.com' + freqratio = freq0/freq + seaton = xsect*(a + freqratio*(1.0-a))* + . dsqrt(freqratio**(nint(2.*power+0.01))) + + return + end + + diff --git a/Opacscat.f b/Opacscat.f new file mode 100755 index 0000000..b057723 --- /dev/null +++ b/Opacscat.f @@ -0,0 +1,104 @@ + +c****************************************************************************** +c The subroutines needed to calculate the opacities from scattering by +c H I, H2, He I, and e- are in this file. These are from ATLAS9. +c****************************************************************************** + + + + + + + subroutine opacescat +c****************************************************************************** +c This routine computes electron scattering opacities. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + save + data modcount/0/ + +c compute scattering, but only if there is a new model atmosphere. + if (modelnum .ne. modcount) then + modcount = modelnum + do i=1,ntau + sigel(i) = 0.6653d-24*ne(i) + enddo + endif + + return + end + + + subroutine opacHscat +c****************************************************************************** +c This routine computes H I Rayleigh scattering opacities. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + include 'Linex.com' + + wavetemp = 2.997925d18/dmin1(freq,2.463d15) + ww = wavetemp**2 + sig = (5.799d-13+1.422d-6/ww+2.784/(ww*ww))/(ww*ww) + do i=1,ntau + sigH(i) = sig*2.*numdens(1,1,i)/u(1,1,i) + enddo + + return + end + + + subroutine opacH2scat +c****************************************************************************** +c This routine computes H2 I Rayleigh scattering opacities. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + include 'Linex.com' + + wavetemp = 2.997925d18/dmin1(freq,2.463d15) + ww = wavetemp**2 + sig = (8.14d-13+1.28d-6/ww+1.61/(ww*ww))/(ww*ww) + do i=1,ntau + sigH2(i) = sig*numdens(8,1,i) + enddo + + return + end + + + subroutine opacHescat +c****************************************************************************** +c This routine computes He I Rayleigh scattering opacities. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Kappa.com' + include 'Linex.com' + + wavetemp = 2.997925d18/dmin1(freq,5.15d15) + ww = wavetemp**2 + sig = 5.484E-14/ww/ww*(1.+(2.44d5+5.94d10/(ww-2.90d5))/ww)**2 + do i=1,ntau + sigHe(i) = sig*numdens(2,1,i)/u(2,1,i) + enddo + + return + end + + + + + + + + + diff --git a/Params.f b/Params.f new file mode 100755 index 0000000..a9be3d2 --- /dev/null +++ b/Params.f @@ -0,0 +1,813 @@ + + subroutine params +c****************************************************************************** +c This subroutine reads in the commands from the parameter file +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Factor.com' + include 'Pstuff.com' + include 'Obspars.com' + include 'Mol.com' + include 'Multistar.com' + real*8 deltalogab(5) + character keyword*20 + character arrayz*80 + integer kk + data newcount, linecount /0, 0/ + + + if (linecount .eq. 0) oldcount = 0 + + +c IF DOING MULTIPLE RUNS: if this is not the first reading of the +c parameter file, then read down to correct place in parameter file, +c using "linecount", and then skip the re-initialization of the +c various variables + rewind nfparam + read (nfparam,1001,end=100) arrayz + if (linecount .ne. 0) then + do i=1,linecount + read (nfparam,1001,end=100) arrayz + enddo + go to 4 + endif + + +c INITIALIZE SOME VARIABLES: output file names and output file numbers +c f1out, nf1out: verbose standard output +c f2out, nf2out: raw synthetic spectra, or summary abundances, or +c summary curves-of-growth +c f3out, nf3out: smoothed synthetic spectra +c f4out, nf4out: IRAF-text-style synthetic spectra output +c f5out, nf5out: postscript plot output +c f6out, nf6out: synthetic/observed comparison text output (gridsyn) +c f7out, nf7out: raw synthetic spectrum of primary of a binary, +c output summary run table, or +c to be used for some other purpose as needed; at +c present not given keyword input +c f8out, nf8out: raw synthetic spectrum of secondary of a binary, +c or the kept lines in a line weedout, or for +c some other purpose as needed +c f9out, nf9out: combined smoothed synthetic spectrum of a binary star, +c or the discarded lines in a line weedout, or the +c mean raw synthesis for a population of stars, or +c some other purpose as needed +c to be used for some other purpose as needed` +c f10out, nf10out: combined smoothed synthetic spectrum of a binary star, +c to be used for some other purpose as needed` + f1out = 'no_filename_given' + f2out = 'no_filename_given' + f3out = 'no_filename_given' + f4out = 'no_filename_given' + f5out = 'optional_output_file' + f6out = 'optional_output_file' + f7out = 'no_filename_given' + f8out = 'no_filename_given' + f9out = 'no_filename_given' + f10out = 'no_filename_given' + nf1out = 0 + nf2out = 0 + nf3out = 0 + nf4out = 0 + nf5out = 0 + nf6out = 0 + nf7out = 0 + nf8out = 0 + nf9out = 0 + nf10out = 0 + modelnum = 0 + + +c INITIALIZE SOME VARIABLES: input file names and input file numbers + fmodel = 'no_filename_given' + flines = 'no_filename_given' + fslines = 'no_filename_given' + fobs = 'no_filename_given' + ftable = 'no_filename_given' + nfmodel = 0 + nflines = 0 + nfslines = 0 + nfobs = 0 + nftable = 0 + + +c INITIALIZE SOME VARIABLES: terminal type; +c set smterm = ' ' for the plotting package 'sm' + smterm = 'x11' + + +c INITIALIZE SOME VARIABLES: +c atmosphere data printing: modprintopt [old ipr(1)] +c molecular equilibrium: molopt [old ipr(2)] +c line data: linprintopt [old ipr(3)] +c flux/intensity fluxintopt [old ipr(4)] +c synthesis/single line computations: [deleted] [old ipr(5)] +c line formation level [deleted] [old ipr(6)] +c plotting: plotopt [old ipr(7)] +c damping dampingopt [old ipr(8)] +c observed spectrum file type specfileopt [old ipr(9)] +c format of linelist (formatted/not) linfileopt +c source function with scat+abs scatopt + modprintopt = 1 + molopt = 1 + linprintopt = 1 + fluxintopt = 0 + plotopt = 0 + dampingopt = 0 + specfileopt = 0 + linfileopt = 0 + iunits = 0 + itru = 0 + iscale = 0 + nlines = 0 + iraf = 0 + histoyes = 0 + byteswap = 0 + deviations = 0 + scatopt = 0 + gfstyle = 0 + maxshift = 0 + dostrong = 0 + molset = 0 + + +c INITIALIZE SOME VARIABLES: +c if fudge is less than or equal to 0 then it does not scale it...make it +c -1.0 just to be sure we dont have floating point problems with 0.0 + fudge = -1.0 + + +c INITIALIZE SOME VARIABLES: spectrum run parameters + oldstart = 0. + start = 0. + sstop = 0. + step = 0. + delta = 0. + cogatom = 0. + contnorm = 1.0 + + +c INITIALIZE SOME VARIABLES: line limit parameters + ncurve = 0 + lim1line = 0 + lim2line = 0 + lim1obs = 0 + lim2obs = 0 + lim1 = 0 + lim2 = 0 + + +c INITIALIZE SOME VARIABLES: spectroscopic binary parameters + deltaradvel = 0. + lumratio = 1. + + +c INITIALIZE SOME VARIABLES: elements with special abundance data; for +c practical reasons, keyword "abundances" and "isotopes" must be specified +c in each RUN; they must be reset each time. +4 neq = 0 + numpecatom = 0 + numatomsyn = 0 + newnumpecatom = 0 + newnumatomsyn = 0 + ninetynineflag = 0 + do i=1,95 + pec(i) = 0 + newpec(i) = 0 + do j=1,5 + abfactor(j) = 0. + pecabund(i,j) = 0. + newpecabund(i,j) = 0. + enddo + enddo + numiso = 0 + numisosyn = 0 + newnumiso = 0 + newnumisosyn = 0 + do i=1,20 + isotope(i) = 0. + newisotope(i) = 0. + do j=1,5 + isoabund(i,j) = 0. + newisoabund(i,j) = 0. + enddo + enddo + + +c read a line of the parameter file into "arrayz"; decode it to get the +c key word, which is always within the first 20 characters; dump the +c rest of arrayz into "array" +5 write (array,1007) + read (nfparam,1001,end=98) arrayz + linecount = linecount + 1 + i=index(arrayz,' ') + keyword = arrayz(1:i-1) + array = arrayz(i:) + + +c keyword 'RUN' signals that there are either multiple syntheses being +c done or multiple comparisons with observed spectra + if (keyword .eq. 'RUN') then + read (array,*) newcount + if (newcount .gt. oldcount+1) then + linecount = linecount - 1 + oldcount = syncount + go to 100 + else + syncount = newcount + go to 5 + endif + endif + + +c keyword 'freeform' indicates whether or not the linelist will be read +c in under format control (7e10.3) or will be free-form. If freeform = 0, +c the default value, then the old-style formatted input will be used; +c If freeform = 1, unformatted read will be used, BUT the user must then +c give values for all quantities (that is, explicit zeros will need to +c be put instead of blank spaces. + if (keyword .eq. 'freeform') then + read (array,*) linfileopt + + +c keyword 'standard_out' controls the name of the verbose standard output + elseif (keyword .eq. 'standard_out') then + read (array,*) f1out + + +c keyword 'summary_out' controls the name of either the EW summary or +c the raw synthesis output + elseif (keyword .eq. 'summary_out') then + read (array,*) f2out + + +c keyword 'hardpost_out' controls the name of a postscript plot output + elseif (keyword .eq. 'hardpost_out') then + read (array,*) f5out + + +c keyword 'speccomp_out' controls the name of a text file containing the +c comparisons (wavelength shifts, sigmas, etc.) between observed and +c synthetic spectra + elseif (keyword .eq. 'speccomp_out') then + read (array,*) f6out + + +c keyword 'bin_raw_out' controls the name of a file containing the +c raw synthesis of a spectroscopic binary, with an appropriate velocity +c difference and luminosity ratio dialed in + elseif (keyword .eq. 'bin_raw_out') then + read (array,*) f9out + + +c keyword 'bin_smo_out' controls the name of a file containing the +c smoothed synthesis of a spectroscopic binary + elseif (keyword .eq. 'bin_smo_out') then + read (array,*) f10out + + +c keyword 'summary_in' controls the name of the raw synthesis file, +c created previously, that will be read in for plotting purposes + elseif (keyword .eq. 'summary_in') then + read (array,*) f2out + + +c keyword 'smoothed_out' controls the name of the smoothed synthesis output + elseif (keyword .eq. 'smoothed_out') then + read (array,*) f3out + + +c keyword 'keeplines_out' controls the name of the list of kept lines +c for future synthetic spectrum runs + elseif (keyword .eq. 'keeplines_out') then + read (array,*) f8out + + +c keyword 'tosslines_out' controls the name of the list of discarded lines +c that are too weak to keep in future synthetic spectrum runs + elseif (keyword .eq. 'tosslines_out') then + read (array,*) f9out + + +c keyword 'iraf_out' controls the name of the optional IRAF output + elseif (keyword .eq. 'iraf_out') then + read (array,*) f4out + + +c keyword 'model_in' controls the name of input model atmosphere file + elseif (keyword .eq. 'model_in') then + read (array,*) fmodel + + +c keyword 'lines_in' controls the name of the input line list + elseif (keyword .eq. 'lines_in') then + read (array,*) flines + + +c keyword 'stronglines_in' controls the name of the input strong line list + elseif (keyword .eq. 'stronglines_in') then + read (array,*) fslines + + +c keyword 'observed_in' controls the name of the input observed spectrum + elseif (keyword .eq. 'observed_in') then + read (array,*) fobs + + +c keyword 'table_in' controls the name of the extra input instruction file + elseif (keyword .eq. 'table_in ') then + read (array,*) ftable + + +c keyword 'table_out' controls the name of the extra input instruction file + elseif (keyword .eq. 'table_out ') then + read (array,*) f7out + + +c keyword 'popsyn_out' controls the name of the extra input instruction file + elseif (keyword .eq. 'popsyn_out ') then + read (array,*) f9out + + +c keyword 'rawbin_out ' controls the name of the input observed spectrum + elseif (keyword .eq. 'rawbin_out ') then + read (array,*) f9out + + +c keyword 'smoobin_out' controls the name of the input observed spectrum + elseif (keyword .eq. 'smoobin_out') then + read (array,*) f10out + + +c keyword 'atmosphere' controls the output of atmosphere quantities +c 0 = do not print out the atmosphere +c 1 = print out the standard things about an atmsophere +c 2 = print standard things and additional stuff like continuous +c opacities, etc. + elseif (keyword .eq. 'atmosphere') then + read (array,*) modprintopt + + +c keyword 'molecules ' controls the molecular equilibrium calculations +c 0 = do not do molecular equilibrium +c 1 = do molecular equilibrium but do not print results +c 2 = do molecular equilibrium and print results + elseif (keyword .eq. 'molecules') then + read (array,*) molopt + if (molopt .eq. 0) then + nchars = 64 + write (array,1009) + call getasci (nchars,l0) + if (chinfo(1:1) .eq. 'n') then + stop + else + molopt = 1 + endif + endif + + +c keyword 'molset' controls the choice of which set of molecules will be +c used in molecular equilibrium calculations. +c 1 = the small set involving H, C, N, O, Mg, Ti (DEFAULT) +c 2 = the large set more useful for very cool stars + elseif (keyword .eq. 'molset') then + read (array,*) molset + + +c keyword 'deviations' controls whether, for synthetic spectrum computations, +c an 'obs-comp' plot will be made in addition to the normal spectrum plot +c 0 = do not plot the obs-comp plot +c 1 = plot the obs-comp plot + elseif (keyword .eq. 'deviations') then + read (array,*) deviations + + +c keyword 'lines ' controls the output of line data +c 0 = print out nothing about the input lines +c 1 = print out standard information about the input line list +c 2 = gory line data print (usually for diagnostic purposes) + elseif (keyword .eq. 'lines') then + read (array,*) linprintopt + linprintalt = linprintopt + + +c keyword 'gfstyle ' controls the output of line data +c 0 = base-10 logarithms of the gf values (DEFAULT) +c 1 = straight gf values + elseif (keyword .eq. 'gfstyle') then + read (array,*) gfstyle + + +c keyword 'contnorm ' allows multiplicative adjustment of the +c continuum; useful probably only for batch syntheses +c the numbers employed should be around 1.0; +c default is 1.000000 + elseif (keyword .eq. 'contnorm') then + read (array,*) contnorm + + +c keyword 'plotpars ' allows you to set all of the plotting +c parameters if you know them in advance +c 0 = none set (default); user can change in plotting routine +c 1 = given in following lines as follows +c xlow xhi ylo yhi +c vshift lamshift obsadd obsmult +c smooth-type FWHM-Gauss vsini L.D.C. FWHM-Macro FWHM-Loren + elseif (keyword .eq. 'plotpars') then + read (array,*) iscale + if (iscale .ne. 0) then + read (nfparam,*) xlo, xhi, ylo, yhi + linecount = linecount + 1 + read (nfparam,*) veladd, xadd, yadd, ymult + if (xadd .ne. 0.) then + veladd = 3.0d5*xadd/((xlo+xhi)/2.) + xadd = 0. + endif + linecount = linecount + 1 + read (nfparam,*) smtype, fwhmgauss, vsini, limbdark, vmac, + . fwhmloren + linecount = linecount + 1 + endif + + +c keyword 'trudamp ' should moog use the detailed line damping for +c those transitions that have information stored in +c subroutine trudamp? (Default is *no*) + elseif (keyword .eq. 'trudamp') then + read (array,*) itru + + +c keyword 'veladjust ' shoud moog try to do a cross-correlation between +c observed and synthetic spectra and use that to +c align the spectra better in wavelength +c (Default is *no*) + elseif (keyword .eq. 'veladjust') then + read (array,*) maxshift + + +c keyword 'units ' controls the units in which moog +c outputs the final spectrum +c 0 = angs +c 1 = microns +c 2 = 1/cm + elseif (keyword .eq. 'units') then + read (array,*) iunits + if (iunits .ne. 0) then + write (*,1010) + stop + endif + + +c keyword 'iraf ' allows the user to output a raw spectrum in +c a form suitable for IRAF's rtext input command +c 0 = don't do this, make output the normal way. +c 1 = make an IRAF-compatible output + elseif (keyword .eq. 'iraf') then + read (array,*) iraf + + +c keyword 'scat 'allows the user to employ a source function +c which has both scattering and absorption components +c 0 = NO scattering +c 1 = scattering + elseif (keyword .eq. 'scat') then + read (array,*) scatopt + + +c keyword 'flux/int ' choses integrated flux or central intensity +c 0 = integrated flux calculations +c 1 = central intensity calculations + elseif (keyword .eq. 'flux/int') then + read (array,*) fluxintopt + + +c*****here are the calculations to set up the damping; for atomic lines +c there are several options: +c dampingopt = 0 and dampnum < 0 ---> +c gammav = 10^{dampnum(i)}*(T/10000K)^0.3*n_HI +c dampingopt = 0 and dampnum = 0 ---> +c c6 = Unsold formula +c dampingopt = 0 and dampnum > 10^(-10) ---> +c c6 = (Unsold formula)*dampnum(i) +c dampingopt = 0 and dampnum(i) < 10^(-10) ---> +c c6 = dampnum(i) +c dampingopt = 1 ---> +c gammav = gamma_Barklem if possible, +c otherwise use dampingopt=0 options +c dampingopt = 2 ---> +c c6 = c6_Blackwell-group +c dampingopt = 3 and dampnum <= 10^(-10) ---> +c c6 = c6_NEXTGEN for H I, He I, H2 +c dampingopt = 3 and dampnum > 10^(-10) ---> +c c6 = (c6_NEXTGEN for H I, He I, H2)*dampnum +c for molecular lines (lacking a better idea) ---> +c c6 done as in dampingopt = 0 + elseif (keyword .eq. 'damping') then + read (array,*) dampingopt + + +c keyword 'obspectrum' controls the file type of the observed spectrum +c 0 = no observed spectrum is to be input +c 1 = read a true FITS file with internal read statements +c -1 = as if obspectrum = 1, but on a byte-swapping machine +c 2 = (not implemented yet) +c 3 = read a true Fits file with the FITSIO package +c 4 = (not implemented yet) +c 5 = read a special MONGO style (wavelength, flux pair) file + elseif (keyword .eq. 'obspectrum') then + read (array,*) specfileopt + if (specfileopt .lt. 0) then + byteswap = 1 + specfileopt = iabs(specfileopt) + endif + + +c keyword 'histogram' makes histogram plots of observed spectra if +c histoyes = 1 + elseif (keyword .eq. 'histogram') then + read (array,*) histoyes + + +c keyword 'terminal ' gives the sm plotting window type +c smterm = a character string of the sm window type (see the +c appropriate sm manual for a list) + elseif (keyword .eq. 'terminal') then + read (array,*) smterm + + +c keyword 'plot ' decides whether or not to make a plot of results +c 0 = do not make a plot +c For syntheses: 1 = plot only synthetic spectra +c 2 = plot synthetic and observed spectra +c 3 = smooth the syntheses but don't plot +c For line analyses: # = the minimum number of lines of a +c species necessary to trigger a plot +c For curves-of-growth: 1 = make plots +c For flux curves: 1 = make plots + elseif (keyword .eq. 'plot') then + read (array,*) plotopt + + +c keyword 'abundances' gives the changes to be applied to the abundances +c # = the number of different syntheses to run +c (the next line gives the different abundance factors +c to use) +c minimum error check: numatomsyn must equal numisosyn or code will stop + elseif (keyword .eq. 'abundances') then + neq = 0 + numpecatom = 0 + numatomsyn = 0 + newnumpecatom = 0 + newnumatomsyn = 0 + ninetynineflag = 0 + do i=1,95 + pec(i) = 0 + newpec(i) = 0 + do j=1,5 + abfactor(j) = 0. + pecabund(i,j) = 0. + newpecabund(i,j) = 0. + enddo + enddo + read (array,*) numpecatom,numatomsyn + if (numisosyn .ne. 0) then + if (numatomsyn .ne. numisosyn) then + write (array,1002) numatomsyn, numisosyn + call putasci (77,6) + stop + endif + endif + do l=1,numpecatom + read (nfparam,*) jatom,(deltalogab(kk),kk=1,numatomsyn) + linecount = linecount + 1 + if (jatom .eq. 99) then + do kk=1,numatomsyn + abfactor (kk) = deltalogab(kk) + enddo + else + do kk=1,numatomsyn + pecabund(jatom,kk) = deltalogab(kk) + enddo + pec(jatom) = 1 + endif + enddo + if (numpecatom.eq.1 .and. jatom.eq.99) ninetynineflag = 1 + + +c keyword 'isotopes ' gives the isotopes used in the line list and their +c abundance relative to the parent spiecies +c minimum error check: numatomsyn must equal numisosyn or code will stop + elseif (keyword .eq. 'isotopes') then + numiso = 0 + numisosyn = 0 + newnumiso = 0 + newnumisosyn = 0 + do i=1,20 + isotope(i) = 0. + newisotope(i) = 0. + do j=1,5 + isoabund(i,j) = 0. + newisoabund(i,j) = 0. + enddo + enddo + read (array,*) numiso,numisosyn + if (numatomsyn .ne. 0) then + if (numatomsyn .ne. numisosyn) then + write (array,1002) numatomsyn, numisosyn + call putasci (77,6) + stop + endif + endif + do j=1,numiso + read (nfparam,*) isotope(j),(isoabund(j,kk),kk=1,numisosyn) + linecount = linecount + 1 + enddo + + +c keyword 'lumratio' gives the ratio of the luminosity of two stars at a +c specific wavelength in a binary star system (used +c only with driver "binary") + elseif (keyword .eq. 'lumratio') then + read (array,*) lumratio + + +c keyword 'deltaradvel' gives the velocity difference between the stars +c binary star system (used only with driver "binary") + elseif (keyword .eq. 'deltaradvel') then + read (array,*) deltaradvel + + +c keyword 'synlimits ' gives the wavelength parameters for syntheses; +c start and sstop are beginning and ending +c wavelengths, step is the step size in the +c syntheses, and delta is the wavelength range +c to either side of a synthesis point to consider +c for line opacity calculations + elseif (keyword .eq. 'synlimits') then + read (nfparam,*) start, sstop, step, delta + oldstart = start + oldstop = sstop + oldstep = step + olddelta = delta + step1000 = 1000.*step + if (dble(idnint(step1000))-step1000 .ne. 0.) then + write (*,1008) step + stop + endif + linecount = linecount + 1 + + +c keyword 'fluxlimits' gives the wavelength parameters for flux curves; +c start and sstop are beginning and ending +c wavelengths, and step is the step size in the +c flux curve + elseif (keyword .eq. 'fluxlimits') then + read (nfparam,*) start, sstop, step + linecount = linecount + 1 + + +c keyword 'blenlimits' gives the parameters for blended line abundance +c matches. delwave is the wavelength offset +c to the blue of first and to the red of the +c last line in the blend to extend the syntheses; +c step is the wavelength step size in the +c computations; cogatom is the name of the +c element whose abundance should be varied +c to achieve an EW match with observations. + elseif (keyword .eq. 'blenlimits') then + read (nfparam,*) delwave, step, cogatom + linecount = linecount + 1 + + +c keyword 'coglimits ' gives the log(W/lambda) limits for curves-of-growth +c rwlow and rwhigh are the beginning +c and ending points of the log(red.width) values, +c rwstep is the step in log(red.width), +c cogatom is the declaration of which element +c will have its abundance varied (necessary only +c for spectrum synthesis curves-of-growth, +c and wavestep is a forced (if desired) step size +c in wavelength along the line (this applies to +c single line computations only + elseif (keyword .eq. 'coglimits') then + read (nfparam,*) rwlow, rwhigh, rwstep, wavestep, cogatom + linecount = linecount + 1 + + +c keyword 'limits ' old limits format...tell the user to change the +c keyword and quit. + + elseif (keyword .eq. 'limits') then + write(*,*) 'Warning: keyword changed to *synlimits*, *coglimits*' + write(*,*) 'for Syntesis and COG calculations.' + write(*,*) 'Here are the proper formats:' + write(*,*) + write(*,*) 'synlimits ' + write(*,*) 'coglimits ', + . '' + stop + + +c keyword of strong for lines which are to be considered for all of the +c synthesis + elseif (keyword .eq. 'strong') then + read (array,*) dostrong + + +c keyword word of opacit which takes the continuus opacity and scales it +c with the form of kaplam(i)= kaplam(i)*((factor*10000)/t(i)) +c in Opacit.f after it calulates the normal kaplam +c if value is <= 0 then it does not do it + elseif (keyword .eq. 'opacit') then + read (array,*) fudge + + +c any other keyword causes great grudge + else + write (array,1006) keyword + call prinfo (5) + stop + + endif + + +c loop back to get another parameter + go to 5 + + +c wrap things up with a few assignments +98 if (control.eq.'gridsyn' .or. control.eq.'gridplo' .or. + . control.eq.'binary ' .or. control.eq.'abandy ') then + control = 'gridend' + endif + + +c assign plotting window type; if no type has been given in the +c parameter file, then ask for it +100 if (smterm .eq. ' ') then + array = 'GIVE THE SM TERMINAL NAME : ' + nchar = 28 + call getasci (nchar,12) + smterm = chinfo(1:nchar) + ivstat = ivcleof(12,1) + endif + if (smterm.eq.'x11' .or. smterm.eq.'X11') then + if (control .eq. 'synth ' .or. + . control .eq. 'synpop ' .or. + . control .eq. 'synplot' .or. + . control .eq. 'isoplot' .or. + . control .eq. 'gridsyn' .or. + . control .eq. 'gridplo' .or. + . control .eq. 'doflux ' .or. + . control .eq. 'cogsyn ' .or. + . control .eq. 'cog ' .or. + . control .eq. 'isotop ' .or. + . control .eq. 'binary ') then + smterm = smt1 + else + smterm = smt2 + endif + endif + + +c for syntheses, store the plotting parameters + if (control.eq.'synth ' .or. control.eq.'synplot' .or. + . control.eq.'gridsyn' .or. control.eq.'gridplo' .or. + . control.eq.'binary ' .or. control.eq.'synpop ') then + if (oldstart .eq. 0) then + write (*,1011) + stop + endif + if (iscale .eq. 0) call plotremember (0) + call plotremember (1) + endif + + +c*****exit normally + return + + +c*****format statements +1001 format (a80) +1002 format ('# OF ABUNDANCE (',i1,') AND ISOTOPIC (',i1,')', + . ' SYNTHESES DO NOT AGREE! I QUIT! ') +1006 format ('THIS OPTION IS UNKNOWN TO MOOG: ', a10, ' I QUIT!') +1007 format (79(' ')) +1008 format ('step =', f10.5, 'A but it cannot be more precise than ', + . 'the nearest 0.001A; I QUIT!') +1009 format ('WARNING: molecular eq. always done if ', + . 'Teff < 8000K; OK (y/n)???') +1010 format ('the units=1 option is fragile; rerun with only ', + . 'Angstroms and units=0') +1011 format ('SYNTHESIS START NOT SET; I QUIT!') + + end + + + + + + diff --git a/Partfn.f b/Partfn.f new file mode 100755 index 0000000..5463afb --- /dev/null +++ b/Partfn.f @@ -0,0 +1,42 @@ + + subroutine partfn (atom,jmark) +c****************************************************************************** +c This routine computes arrays or single partition functions; +c It uses the data and formulation of Kurucz's ATLAS9 program. +c However, the partition functions have been updated for several species, +c and those are calculated in subroutine *newpart*. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Quants.com' + + + iat = 10*nint(atom) - 1 + at = dfloat(iat)/10. + iatom = nint(atom) + + +c*****compute partition functions for 4 ionization states of an element. + do k=1,4 + iat = iat + 1 + at = dfloat(iat)/10. + if (partflag(iatom,k) .gt. 0) then + do i=1,ntau + u(jmark,k,i) = partnew(at,k,i) + enddo + else + do i=1,ntau + u(jmark,k,i) = ucalc(at,i) + enddo + endif + enddo + + + return + end + + + + diff --git a/Partnew.f b/Partnew.f new file mode 100755 index 0000000..7b9e0f3 --- /dev/null +++ b/Partnew.f @@ -0,0 +1,40 @@ + + real*8 function partnew (atom,k,level) +c****************************************************************************** +c This routine computes partition functions for those species that have +c been updated from those that are in ATLAS9. The polynomial +c representations are in the form used by Irwin (1981, ApJS, 45, 621): +c log10(U) = SUM{C_j*log10(T)**(j-1)} for j = 1-->6 +c where T = temperature and C_j are the six polynomial coefficients. +c Information on the updated partition functions are given by +c Lawler & Sneden (2002, in preparation). This routine will be +c increasingly invoked as new new data are added to the *newpartdata* +c array, until a full replacement for the older partition functions +c is implemented. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Quants.com' + + + iatom = nint(atom) + iarray = partflag(iatom,k) + + if (level .gt. 500) then + temp = dlog(dble(level)) + else + temp = tlog(level) + endif + + ulog = 0. + do j=1,6 + ulog = ulog + newpartdata(iarray,j)*temp**(j-1) + enddo + partnew = dexp(ulog) + + return + end + + + diff --git a/Plotit.f b/Plotit.f new file mode 100755 index 0000000..ac7277c --- /dev/null +++ b/Plotit.f @@ -0,0 +1,85 @@ + + subroutine plotit +c****************************************************************************** +c This routine plots a spectrum that already has been synthesized +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + + +c*****examine the parameter file + call params + + +c*****open the files for: raw spectrum depths (as input), smoothed +c spectra (output), and (if desired) IRAF-style smoothed spectra (output) + nf2out = 21 + lscreen = 4 + array = 'RAW SYNTHESES INPUT' + nchars = 19 + call infile ('input ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + if (plotopt .ne. 0) then + nf3out = 22 + lscreen = lscreen + 2 + array = 'SMOOTHED SYNTHESES OUTPUT' + nchars = 25 + call infile ('output ',nf3out,'formatted ',0,nchars, + . f3out,lscreen) + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + endif + if (plotopt .gt. 1) then + nf6out = 27 + lscreen = lscreen + 2 + array = 'SPECTRUM COMPARISON OUTPUT' + nchars = 27 + call infile ('output ',nf6out,'formatted ',0,nchars, + . f6out,lscreen) + endif + if (iraf .ne. 0) then + nf4out = 23 + lscreen = lscreen + 2 + array = 'IRAF ("rtext") OUTPUT' + nchars = 24 + call infile ('output ',nf4out,'formatted ',0,nchars, + . f4out,lscreen) + endif + + +c*****now plot the spectrum + if (plotopt.eq.2 .and. specfileopt.gt.0) then + nfobs = 33 + lscreen = lscreen + 2 + array = 'THE OBSERVED SPECTRUM' + nchars = 21 + if (specfileopt.eq.1 .or. specfileopt.eq.3) then + call infile ('input ',nfobs,'unformatted',2880,nchars, + . fobs,lscreen) + else + call infile ('input ',nfobs,'formatted ',0,nchars, + . fobs,lscreen) + endif + endif + if (plotopt .ne. 0) then + line = 10 + ncall = 1 + call pltspec (line,ncall) + endif + + +c*****finish + call finish (0) + return + + + end + + + diff --git a/Plotremember.f b/Plotremember.f new file mode 100755 index 0000000..5f1619f --- /dev/null +++ b/Plotremember.f @@ -0,0 +1,123 @@ + + subroutine plotremember (option) +c****************************************************************************** +c This subroutine declares or stores or recovers the plotting parameters +c that were default, or set in the parameter file or were the ones used +c in the most recent call to a plotting routine. +c****************************************************************************** + + include 'Linex.com' + include 'Pstuff.com' + integer option + + +c*****initialize the plot parameters; iscale=0 is simple default; +c iscale=1 is when these parameters have been read from the +c parameter file + if (option .eq. 0) then + if (iscale .eq. 0) then + xlo = oldstart + xhi = oldstop + ylo = 0. + yhi = 1.1 + veladd = 0. + xadd = 0. + yadd = 0. + ymult = 1. + smtype = 'g' + fwhmgauss = 0.1 + vsini = 0. + limbdark = 0. + vmac = 0. + fwhmloren = 0. + whichwin = '1of1' + endif + + +c*****store the original plot parameters + elseif (option .eq. 1) then + origxlo = xlo + origxhi = xhi + origylo = ylo + origyhi = yhi + origveladd = veladd + origxadd = xadd + origyadd = yadd + origymult = ymult + origsmtype = smtype + origfwhmgauss = fwhmgauss + origvsini = vsini + origlimbdark = limbdark + origvmac = vmac + origfwhmloren = fwhmloren + origwhichwin = whichwin + + +c*****re-set the plot parameters to their original values + elseif (option .eq. 2) then + xlo = origxlo + xhi = origxhi + ylo = origylo + yhi = origyhi + veladd = origveladd + xadd = origxadd + yadd = origyadd + ymult = origymult + smtype = origsmtype + fwhmgauss = origfwhmgauss + vsini = origvsini + limbdark = origlimbdark + vmac = origvmac + fwhmloren = origfwhmloren + whichwin = origwhichwin + + +c*****store the plot parameters from the last entry into pltspec + elseif (option .eq. 3) then + oldxlo = xlo + oldxhi = xhi + oldylo = ylo + oldyhi = yhi + oldveladd = veladd + oldxadd = xadd + oldyadd = yadd + oldymult = ymult + oldsmtype = smtype + oldfwhmgauss = fwhmgauss + oldvsini = vsini + oldlimbdark = limbdark + oldvmac = vmac + oldfwhmloren = fwhmloren + oldwhichwin = whichwin + + +c*****re-set plot parameters to values from the last entry into pltspec + elseif (option .eq. 4) then + xlo = oldxlo + xhi = oldxhi + ylo = oldylo + yhi = oldyhi + veladd = oldveladd + xadd = oldxadd + yadd = oldyadd + ymult = oldymult + smtype = oldsmtype + fwhmgauss = oldfwhmgauss + vsini = oldvsini + limbdark = oldlimbdark + vmac = oldvmac + fwhmloren = oldfwhmloren + whichwin = oldwhichwin + else + stop 'bad option in plotremember; I quit!' + endif + + + return + end + + + + + + diff --git a/Plotval.com b/Plotval.com new file mode 100755 index 0000000..8e5320d --- /dev/null +++ b/Plotval.com @@ -0,0 +1,6 @@ + common /plotval/ xleft,right,up,down,oldlft,oldrgt,oldup,olddown, + . xmax,xmin,ixlcnt,iylcnt,realcolors(50) + + real*4 xleft,right,up,down,oldlft,oldrgt,oldup,olddown, + . xmax,xmin,realcolors + diff --git a/Pltabun.f b/Pltabun.f new file mode 100755 index 0000000..5fc7691 --- /dev/null +++ b/Pltabun.f @@ -0,0 +1,64 @@ + + subroutine pltabun +c****************************************************************************** +c This subroutine controls the decisions that are made around the +c plotting of individual line abundances +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Pstuff.com' + real*8 xnum + real*4 shortnum + + + if (kount .ge. plotopt) then + if (plotopt .eq. 0) return +10 choice = 'y' + plotroutine = 'term_port_abun' + lscreen = maxline -2 + call makeplot (lscreen) + array = 'WHAT TO DO NEXT ([n]/h/f/r/m/v)? ' + lscreen = lscreen + 2 + nchars = 35 + call getasci (nchars,maxline) + choice = chinfo(1:1) + if (choice.eq.'n' .or. nchars.le.0) then + return + elseif (choice .eq. 'm') then + return + elseif (choice .eq. 'v') then + write (array,*) 'What is the new microturbulence (km/s)? ' + nchars = 41 + call getnum (nchars,lscreen,xnum,shortnum) + do i=1,ntau + vturb(i) = xnum*1.0e5 + enddo + write (moditle(57:64),1010) xnum + lim1line = 0 + lim2line = 0 + lim1obs = 0 + lim2obs = 0 + return + elseif (choice .eq. 'h') then + plotroutine = 'hard_port_abun' + call makeplot (lscreen) + elseif (choice .eq. 'r') then + go to 10 + elseif (choice .eq. 'f') then + plotroutine = 'file_port_abun' + call makeplot (lscreen) + endif + endif + + + return + + +c*****format statements +1010 format ('vt=',f5.2) + end + + diff --git a/Pltcog.f b/Pltcog.f new file mode 100755 index 0000000..0d53d0e --- /dev/null +++ b/Pltcog.f @@ -0,0 +1,77 @@ + + subroutine pltcog +c****************************************************************************** +c This subroutine controls the decisions that are made around the +c plots of curves-of-growth +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Pstuff.com' + real*8 xnum + real*4 shortnum + + +c call up the curve-of-growth plot + if (plotopt .eq. 0) return +10 choice = 'y' + plotroutine = 'term_land_cog ' + lscreen = 12 + whichwin = '1of1' + call makeplot (lscreen) + + +c make a hardcopy, write to a postscript file, point at a place on the +c screen, try a new model atmosphere, or replot? +1 array = 'WHAT TO DO NEXT ([n]/h/f/p/v/m/r)? ' + lscreen = 12 + nchars = 37 + call getasci (nchars,lscreen) + choice = chinfo(1:1) + if (choice.eq.'n' .or. nchars.le.0) then + return + elseif (choice .eq. 'h') then + plotroutine = 'hard_land_cog ' + call makeplot (lscreen) + go to 10 + elseif (choice .eq. 'v') then + write (array,*) 'What is the new microturbulence (km/s)? ' + nchars = 41 + lscreen = lscreen + 2 + call getnum (nchars,lscreen,xnum,shortnum) + do i=1,ntau + vturb(i) = xnum*1.0e5 + enddo + write (moditle(57:64),1010) xnum + rewind nf1out + rewind nf2out + rewind nfmodel + rewind nflines + return + elseif (choice .eq. 'm') then + return + elseif (choice .eq. 'r') then + go to 10 + elseif (choice .eq. 'p') then + array = 'MARK THE POSITION WITH THE CURSOR' + istat=ivcleof(21,1) + istat=ivwrite(13,3,array,34) + call drawcurs + go to 1 + elseif (choice .eq. 'f') then + plotroutine = 'file_land_cog ' + call makeplot (lscreen) + go to 10 + endif + return + + +c*****format statements +1010 format ('vt=',f5.2) + + + end + + + + diff --git a/Pltflux.f b/Pltflux.f new file mode 100755 index 0000000..5332f45 --- /dev/null +++ b/Pltflux.f @@ -0,0 +1,45 @@ + + subroutine pltflux +c****************************************************************************** +c This subroutine controls the decisions that are made around the +c plots of flux curves +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + + +c call up the flux plot + if (plotopt .eq. 0) return +10 choice = 'y' + plotroutine = 'term_land_flux' + lscreen = 12 + call makeplot (lscreen) + + +c make a hardcopy, write to a postscript file, or replot? + array = 'WHAT TO DO NEXT ([n]/h/f/r)? ' + lscreen = 12 + nchars = 33 + call getasci (nchars,lscreen) + choice = chinfo(1:1) + if (choice.eq.'n' .or. nchars.le.0) then + return + elseif (choice .eq. 'h') then + plotroutine = 'hard_land_flux' + call makeplot (lscreen) + elseif (choice .eq. 'r') then + go to 10 + elseif (choice .eq. 'f') then + plotroutine = 'file_land_flux' + call makeplot (lscreen) + endif + + return + end + + + + diff --git a/Pltspec.f b/Pltspec.f new file mode 100755 index 0000000..5396d94 --- /dev/null +++ b/Pltspec.f @@ -0,0 +1,418 @@ + + + subroutine pltspec (line,ncall) +c****************************************************************************** +c This subroutine controls the plotting of the synthesized and +c observed data +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + real*8 xnum + real*4 yyadd, xxadd, vveladd, yymult + integer ncall + + +c*****initialize some variables, or re-set them to old values +3 if (ncall .eq. 1) then + if (iscale .eq. 0) then + choice = 's' + else + choice = '1' + endif + else + call plotremember (4) + endif + + +c*****make a special "choice" for grid syntheses, which go directly to +c*****postscript files if desired + if (control.eq.'gridsyn' .or. control.eq.'gridend' .or. + . control.eq.'gridplo') then + choice = 'g' + endif + + +c*****begin by reading in an observed spectrum + if (specfileopt.ge.1 .and. plotopt.eq.2 .and. ncall.eq.1) then + call readobs (line) + if (lount .eq. -1) then + array = 'OBSERVED SPECTRUM FILE PROBLEM! I QUIT.' + istat = ivwrite (line+4,3,array,40) + stop + endif + endif + + +c*****go through the option list; the routine may be exited at this point + istat = ivcleof(4,1) +1 if (choice .eq. 'q') return + + +c*****or a default plot may be made upon entering the routine + if (choice.eq.'1' .or. choice.eq.'g') then +c*****make a cross correlation to line up synthetic and observed spectra +c*****in velocity (wavelength) space; the user can turn this off/on +c*****not working for you + call smooth (-1,ncall) +c---------------------------------------------------------------------------- + if (plotopt.eq.2 .and. ncall.eq.1) then + vfactor = 1.0 + veladd/2.99795e+5 + do i=1,lount + xobs(i) = vfactor*xobs(i) + enddo + if (maxshift .gt. 0) then + call correl (maxshift) + vfactor = 1.0 + deltavel/2.99795e+5 + do i=1,lount + xobs(i) = vfactor*xobs(i) + enddo + endif + endif +c---------------------------------------------------------------------------- + if (ncall .eq. 1) then + wmiddle = (start + sstop)/2. + if (iunits .eq. 1) wmiddle = 1.d-4*wmiddle + if (ymult .eq. 0.0) ymult = 1.0 + do i=1,lount + yobs(i) = ymult*yobs(i) + yobs(i) = yadd+yobs(i) + enddo + if (xlo .eq. xhi) then + xlo = start + xhi = sstop + if (iunits .eq. 1) then + xlo = 1.d-4*xlo + xhi = 1.d-4*xhi + endif + endif + if (ylo .eq. yhi) then + ylo = 0. + yhi = 1.1 + endif + endif + call boxit + endif + + +c*****or the synthetic spectra may be resmoothed; if a problem develops in +c a user-specified parameter (like a Gaussian FWHM that is too large), +c then output a warning and let user decide what to do next + if (choice .eq. 's') then + call smooth (line+2,1) +2 if (smtype .eq. 'e') then + array = 'REDO THE SMOOTHING (y/n)? ' + nchars = 26 + call getasci (nchars,line+9) + smtype = chinfo(1:1) + if (smtype .eq. 'n') then + go to 100 + else + istat = ivcleof (10,1) + go to 2 + endif + endif + if (xlo .eq. 0.0 .and. xhi .eq. 0.0) then + xlo = start + xhi = sstop + if (iunits .eq. 1) then + xlo = 1.d-4*xlo + xhi = 1.d-4*xhi + endif + endif + endif + + +c*****or the observations may be rescaled + if (choice .eq. 'r') then + array = 'MULTIPLY THE OBSERVED POINTS BY WHAT FACTOR? ' + nchars = 45 + call getnum (nchars,13,xnum,yymult) + ymult = ymult*yymult + do i=1,lount + yobs(i) = yymult*yobs(i) + enddo + endif + + +c*****or the observations may be shifted by an additive constant + if (choice .eq. 'a') then + array = 'ADD WHAT NUMBER TO THE OBSERVED POINTS? ' + nchars = 40 + call getnum (nchars,13,xnum,yyadd) + yadd = yadd + yyadd + do i=1,lount + yobs(i) = yyadd + yobs(i) + enddo + endif + + +c*****or the observations may be shifted by a constant wavelength + if (choice .eq. 'w') then + array = 'SHIFT THE OBSERVED POINTS BY WHAT WAVELENGTH? ' + nchars = 46 + call getnum (nchars,13,xnum,xxadd) + wfactor = xxadd/((start+sstop)/2.) + veladd = veladd + wfactor*2.99795d+5 + vfactor = 1.0 + wfactor + do i=1,lount + xobs(i) = vfactor*xobs(i) + enddo + endif + + +c*****or the observations may be shifted by a constant velocity + if (choice .eq. 'v') then + array = 'SHIFT THE OBSERVED POINTS BY WHAT VELOCITY (KM/S)? ' + nchars = 51 + call getnum (nchars,13,xnum,vveladd) + veladd = veladd + vveladd + vfactor = 1.0 + vveladd/2.99795d+5 + do i=1,lount + xobs(i) = vfactor*xobs(i) + enddo + endif + + +c*****or the plot boundaries may be changed + if (choice .eq. 'c') then + write (array,1001) xlo + nchars = 29 + call getnum (nchars,15,xnum,xlo) + write (array,1002) xhi + nchars = 30 + call getnum (nchars,15,xnum,xhi) + write (array,1003) ylo + nchars = 34 + call getnum (nchars,15,xnum,ylo) + write (array,1004) yhi + nchars = 31 + call getnum (nchars,15,xnum,yhi) + call boxit + endif + + +c*****or the cross hairs can be used to zoom in on a part of the plot + if (choice .eq. 'z') then + array = 'MARK THE LOWER LEFT HAND CORNER WITH THE CURSOR' + istat = ivcleof(13,1) + istat = ivwrite(13,3,array,47) + call pointcurs + xlo = xplotpos + ylo = yplotpos + array = 'MARK THE UPPER RIGHT HAND CORNER WITH THE CURSOR' + istat = ivcleof(14,1) + istat = ivwrite (14,1,array,48) + call pointcurs + xhi = xplotpos + yhi = yplotpos + call boxit + if (iunits .eq. 1) then + xlo = 1.d-4*xlo + xhi = 1.d-4*xhi + endif + whichwin = '1of1' + endif + + + +c*****or cursor position can be returned + if (choice .eq. 'p') then + array = 'MARK THE POSITION WITH THE CURSOR' + istat=ivcleof(21,1) + istat=ivwrite(13,3,array,34) + call drawcurs + go to 100 + endif + + +c*****or the title of the model can be changed + if (choice .eq. 't') then + array = 'ENTER THE NEW TITLE' + istat = ivcleof(21,1) + istat = ivwrite (13,3,array,19) + read (*,1005) moditle + endif + + +c*****or the spectra can be replotted, with a separate plot showing the +c observed/synthtic spectrum differences + if (choice .eq. 'd') then + deviations = 1 + whichwin = '2of2' + endif + + +c*****or the plot boundaries may be reset to the original values; +c this is a basic starting over plot + if (choice .eq. 'o') then + xlo = start + xhi = sstop + if (iunits .eq. 1) then + xlo = 1.d-4*xlo + xhi = 1.d-4*xhi + endif + xlo = origxlo + xhi = origxhi + ylo = origylo + yhi = origyhi + lim1obs = 1 + lim2obs = lount + deviations = 0 + call boxit + endif + + +c*****or the plot can simply be redone + if (choice .eq. 'm') then + go to 90 + endif + + +c*****now either here make a hardcopy plot + if (choice .eq. 'h') then + if (control .eq. 'binary ') then + plotroutine = 'hard_land_bin ' + else + plotroutine = 'hard_land_spec' + endif + if (deviations .eq. 0) then + whichwin = '1of1' + else + whichwin = '2of2' + endif + lscreen = 12 + call makeplot (lscreen) + go to 100 + endif + + +c*****or write the plot to a postscript file + if (choice.eq.'f' .or. choice.eq.'g') then + if (control .eq. 'binary ') then + plotroutine = 'file_land_bin ' + else + plotroutine = 'file_land_spec' + endif + if (deviations .eq. 0) then + whichwin = '1of1' + else + whichwin = '2of2' + endif + lscreen = 12 + call makeplot (lscreen) + if (choice .eq. 'g') then + return + else + go to 90 + endif + endif + + +c*****or return to the calling routine in order to change abundances + if (choice .eq. 'n') then + call plotremember (3) + return + endif + + +c*****or add an additional uniform amount of flux, expressed in terms of +c the current continuum flux; this only is approximately physically +c correct if spectrograph smoothing is negligible compared to other +c smoothing + if (choice .eq. 'l') then + write (array,*) + . 'WHAT IS THE ADDITIONAL FLUX IN TERMS OF CONTINUUM [0.0]? ' + nchars = 57 + call getnum (nchars,15,xnum,addflux) + call smooth (-1,ncall) + endif + + +c*****or if total confusion has happened in the plotting, reset all parameters +c to their original values, and replot + if (choice .eq. 'u') then + call plotremember (2) + ncall = 1 + go to 3 + endif + + +c*****or plot on the terminal +90 if (control.eq.'gridsyn' .or. control.eq.'gridend' .or. + . control .eq. 'gridplo') return + if (control .eq. 'binary ') then + plotroutine = 'term_land_bin ' + else + plotroutine = 'term_land_spec' + endif + lscreen = 12 + if (choice.eq.'f' .or. choice.eq.'h') choice = 'm' + if (deviations .eq. 0) then + whichwin = '1of1' + else + whichwin = '2of2' + endif + call makeplot (lscreen) + + +c*****finally, print the option table +100 istat = ivcleof (5,1) + array = 'OPTIONS? s=new smoothing r=rescale obs. ' + istat = ivwrite (5,3,array,48) + array = ' a=add # to obs. h=hardcopy ' + istat = ivwrite (6,3,array,48) + array = ' c=change bounds q=quit ' + istat = ivwrite (7,3,array,48) + array = ' m=redo same plot o=orig. plot bounds' + istat = ivwrite (8,3,array,51) + array = ' v=velocity shift w=wavelength shift ' + istat = ivwrite (9,3,array,51) + array = ' z=zoom in on plot p=cursor position ' + istat = ivwrite (10,3,array,51) + array = ' t=change title f=postscript file ' + istat = ivwrite (11,3,array,51) + array = ' n=new abundances d=obs/syn deviation' + istat = ivwrite (12,3,array,51) + array = ' l=add veiling u=undo all; replot ' + istat = ivwrite (13,3,array,51) + array = 'What is your choice? ' + nchars = 21 + call getasci (nchars,15) + choice = chinfo(1:1) + + +c*****reprint the option table if the choice is not understood +c or take action on the choice + if (choice.eq.'s' .or. choice.eq.'r' .or. + . choice.eq.'a' .or. choice.eq.'h' .or. + . choice.eq.'c' .or. choice.eq.'q' .or. + . choice.eq.'m' .or. choice.eq.'o' .or. + . choice.eq.'v' .or. choice.eq.'w' .or. + . choice.eq.'z' .or. choice.eq.'p' .or. + . choice.eq.'t' .or. choice.eq.'f' .or. + . choice.eq.'n' .or. choice.eq.'d' .or. + . choice.eq.'l' .or. choice.eq.'u') then + go to 1 + else + go to 100 + endif + + +c*****format statements +1001 format ('LEFT WAVELENGTH (',f9.2,'): ') +1002 format ('RIGHT WAVELENGTH (',f9.2,'): ') +1003 format ('BOTTOM RELATIVE FLUX (',f9.2,'): ') +1004 format ('TOP RELATIVE FLUX (',f9.2,'): ') +1005 format(a80) + + + end + + + + + diff --git a/Pointcurs.f b/Pointcurs.f new file mode 100755 index 0000000..d4bb692 --- /dev/null +++ b/Pointcurs.f @@ -0,0 +1,27 @@ + + subroutine pointcurs +c****************************************************************************** +c This subroutine returns the cursor position upon a click +c****************************************************************************** + + include 'Pstuff.com' + integer ichr + + + call sm_graphics + if (whichwin .eq. '1of1') then + call sm_window (1,1,1,1,1,1) + elseif (whichwin .eq. '2of2') then + call sm_defvar ('y_gutter','0.0') + call sm_window (1,2,1,1,1,1) + endif + call sm_curs (xplotpos,yplotpos,ichr) + call sm_gflush + call sm_alpha + + + return + end + + + diff --git a/Prinfo.f b/Prinfo.f new file mode 100755 index 0000000..9bc9295 --- /dev/null +++ b/Prinfo.f @@ -0,0 +1,58 @@ + + subroutine prinfo (line) +c****************************************************************************** +c this routine prints out information on the text terminal +c****************************************************************************** + + include 'Pstuff.com' + include 'Atmos.com' + character errm1*80,array1*80 + + +c*****do not print out information in real time if the code is in +c batch mode + if (silent .eq. 'y') return + + + if (line .eq. 1) then + istat = ivcleof(4,1) + endif + + if (line .eq. maxline-5) then + errm1 = errmess + array1 = array +10 array = 'WANT TO SEE MORE ([y]/n)? ' + nchars = 26 + call getasci (nchars,4+line) + if (chinfo(1:1).eq.'y' .or. nchars.le.0) then + istat = ivcleof(4,1) + line = 1 + array = array1 + errmess = errm1 + elseif (chinfo(1:1) .eq. 'n') then + errmess = 'stopinfo!' + return + else + go to 10 + endif + endif + + + istat = ivwrite(4+line,1,array,79) + errmess = 'everything OK' + return + + + end + + + + + + + + + + + + diff --git a/Pstuff.com b/Pstuff.com new file mode 100755 index 0000000..c261690 --- /dev/null +++ b/Pstuff.com @@ -0,0 +1,76 @@ + +c****************************************************************************** +c these common block holds parameters and arrays need in the +c plotting routines; the second common block puts character variables +c in their own separate common statement. +c****************************************************************************** + + real*8 xxm1, xxb1, xxr1, xxm2, xxb2, xxr2, + . xxm3, xxb3, xxr3, + . deltaep, deltarw, deltawv, + . p(1000), prot(1000), pmac(1000), + . vsini, limbdark, vmac, + . fwhmgauss, fwhmloren, + . oldvsini, oldlimbdark, oldvmac, + . oldfwhmgauss, oldfwhmloren, + . origvsini, origlimbdark, origvmac, + . origfwhmgauss, origfwhmloren, + . half, power, powerrot, powermac, + . average, deviate, oldhalf + real*4 xobs(500000), yobs(500000) + real*4 xlo, xhi, ylo, yhi, + . origxlo, origxhi, origylo, origyhi, + . oldxlo, oldxhi, oldylo, oldyhi, + . xadd, yadd, ymult, veladd, deltavel, + . origxadd, origyadd, origymult, origveladd, + . oldxadd, oldyadd, oldymult, oldveladd, + . bigxtic, bigytic, smlxtic, smlytic, + . xplotpos, yplotpos, addflux, ydelta + integer lount, kount, nsyn, lim1obs, lim2obs, + . iterm, iscale, maxline, histoyes, deviations, + . syncount, kounter, maxshift + + character*400 abitle + character*240 isoitle + character*80 smterm, smtotalterm, smt1, smt2 + character*80 moditle, obsitle, linitle, smitle, popitle, + . array, chinfo, errmess, plotroutine + character*4 whichwin, origwhichwin, oldwhichwin + character*1 choice, smtype, oldsmtype, origsmtype, + . gaussflag, rotateflag, lorenflag, macroflag + + common/pstuff/xxm1, xxb1, xxr1, xxm2, xxb2, xxr2, + . xxm3, xxb3, xxr3, + . deltaep, deltarw, deltawv, + . p, prot, pmac, + . vsini, limbdark, vmac, + . fwhmgauss, fwhmloren, + . oldvsini, oldlimbdark, oldvmac, + . oldfwhmgauss, oldfwhmloren, + . origvsini, origlimbdark, origvmac, + . origfwhmgauss, origfwhmloren, + . half, power, powerrot, powermac, + . average, deviate, oldhalf, + . xobs, yobs, + . xlo, xhi, ylo, yhi, + . origxlo, origxhi, origylo, origyhi, + . oldxlo, oldxhi, oldylo, oldyhi, + . xadd, yadd, ymult, veladd, deltavel, + . origxadd, origyadd, origymult, origveladd, + . oldxadd, oldyadd, oldymult, oldveladd, + . bigxtic, bigytic, smlxtic, smlytic, + . xplotpos, yplotpos, addflux, ydelta, + . lount, kount, nsyn, lim1obs, lim2obs, + . iterm, iscale, maxline, histoyes, deviations, + . syncount, kounter, maxshift + + common/cstuff/abitle, isoitle, + . smterm, smtotalterm, smt1, smt2, + . moditle, obsitle, linitle, smitle, popitle, + . array, chinfo, errmess, plotroutine, + . whichwin, origwhichwin, oldwhichwin, + . choice, smtype, oldsmtype, origsmtype, + . gaussflag, rotateflag, lorenflag, macroflag + + + diff --git a/Putasci.f b/Putasci.f new file mode 100755 index 0000000..d69f046 --- /dev/null +++ b/Putasci.f @@ -0,0 +1,28 @@ + + subroutine putasci (num,line) +c****************************************************************************** +c this routine prints out the characters contained in 'array' +c****************************************************************************** + + include 'Pstuff.com' + + istat = ivmove(line-1,1) + istat = ivcleol() + istat = ivmove(line-1,1) + write (errmess,1001) num + write (*,errmess) array + return + + +c*****format statements +1001 format ('(a',i2,'$)') + + + end + + + + + + + diff --git a/Quants.com b/Quants.com new file mode 100755 index 0000000..d7c683d --- /dev/null +++ b/Quants.com @@ -0,0 +1,13 @@ + +c****************************************************************************** +c this common block holds the internally-stored atomic data +c****************************************************************************** + + real*8 xsolar(95), xam(95), newpartdata(50,6), + . xchi1(95), xchi2(95), xchi3(95) + integer nudata(6,380), partflag(95,4), nu + + common/quants/xsolar, xam, newpartdata, + . xchi1, xchi2, xchi3, + . nudata, partflag, nu + diff --git a/Readobs.f b/Readobs.f new file mode 100755 index 0000000..c8004a9 --- /dev/null +++ b/Readobs.f @@ -0,0 +1,192 @@ + + subroutine readobs (line) +c****************************************************************************** +c this routine reads in observed spectra. the format is indicated by +c the value of "specfileopt" +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + include 'Obspars.com' + byte int1(2880), onebyte + integer*2 int2(1440) + integer*4 int4(720) + real*4 real4(720) + real*4 xtemp, ytemp + equivalence (int1,int2,int4,real4) + character head*2880 + + +c*****first set some initial parameters + write (obsitle,1021) + iend = 0 + naxis = 1 + naxis1 = 0 + bscale = 0. + bzero = 0. + do j=1,9 + disp(j) = 0. + enddo + + +c*****branch to the appropriate data file type + go to (100,200,300,400,500), specfileopt + + +c*****here is a pure FITS file type. Reading is done with ordinary +c FORTRAN read statements +c first get the header records and search for key parameters +100 irec = 1 +101 read (unit=nfobs,rec=irec,err=1002,iostat=ierr) head + call obshead (head,iend,line) + if (lount .eq. -1) return + if (iend .eq. 0) then + irec = irec + 1 + go to 101 + endif + + +c next read the flux array from the file + nrec = lount/nblock + ipt = 0 + if (mod(lount,nblock) .ne. 0) nrec = nrec + 1 + do j=1,nrec + irec = irec + 1 + jpt = min0(nblock,lount-ipt) + if (ibits .eq. 16) then + read (unit=nfobs,rec=irec,err=1006,iostat=ierr) int1 + if (byteswap .eq. 1) then + do k=2,2880,2 + onebyte = int1(k) + int1(k) = int1(k-1) + int1(k-1) = onebyte + enddo + endif + do k=1,jpt + yobs(ipt+k) = bzero + bscale*real(int2(k)) + enddo + elseif (ibits .eq. 32) then + read (unit=nfobs,rec=irec,err=1006,iostat=ierr) int1 + if (byteswap .eq. 1) then + do k=4,2880,4 + onebyte = int1(k) + int1(k) = int1(k-3) + int1(k-3) = onebyte + onebyte = int1(k-1) + int1(k-1) = int1(k-2) + int1(k-2) = onebyte + enddo + endif + do k=1,jpt + yobs(ipt+k) = bzero + bscale*real(int4(k)) + enddo + elseif(ibits .eq. -32) then + read (unit=nfobs,rec=irec,err=1006,iostat=ierr) int1 + if (byteswap .eq. 1) then + do k=4,2880,4 + onebyte = int1(k) + int1(k) = int1(k-3) + int1(k-3) = onebyte + onebyte = int1(k-1) + int1(k-1) = int1(k-2) + int1(k-2) = onebyte + enddo + endif + do k=1,jpt + yobs(ipt+k) = real4(k) + enddo + endif + ipt = ipt + jpt + enddo + + +c now adjust the continuum, if desired + do j=1,lount + yobs(j) = yobs(j)*contnorm + enddo + + +c now fill in the wavelength array + do j=1,lount + xobs(j) = sngl(wavecalc(sngl(dfloat(j)),lount,disp)) + enddo + lim1obs = 1 + lim2obs = lount + if(xobs(2) .lt. xobs(1)) then + do j=1,lount/2 + xtemp = xobs(j) + ytemp = yobs(j) + xobs(j) = xobs(lount+1-j) + yobs(j) = yobs(lount+1-j) + xobs(lount+1-j) = xtemp + yobs(lount+1-j) = ytemp + enddo + endif + return + + +c or if trouble, give error messages, and abort +1002 write(array,1003) ierr + istat = ivwrite(line+2,3,array,39) + go to 1007 +1006 write(array,1004) ierr + istat = ivwrite(line+2,3,array,39) +1007 lount = -1 + return + + +c*****this is a dummy for future file use +200 return + + +c*****this is a dummy for future file use +300 return + + +c*****this is a dummy for future file use +400 return + + +c*****here is a MONGO-style input array +500 rewind nfobs + read (nfobs,5001) obsitle + i = 1 +501 read (nfobs,*,end=525) xobs(i),yobs(i) + i = i + 1 + go to 501 +525 lount = i - 1 + lim1obs = 1 + lim2obs = lount + if(xobs(2) .lt. xobs(1)) then + do j=1,lount/2 + xtemp = xobs(j) + ytemp = yobs(j) + xobs(j) = xobs(lount+1-j) + yobs(j) = yobs(lount+1-j) + xobs(lount+1-j) = xtemp + yobs(lount+1-j) = ytemp + enddo + endif + + +c now adjust the continuum, if desired + do j=1,lount + yobs(j) = yobs(j)*contnorm + enddo + return + + +c*****format statements +1003 format('ERROR IN FITS HEADER READ: ERROR=',i4) +1004 format('ERROR IN DATA READ: ERROR=',i4,'/') +1021 format (80(' ')) +5001 format (a80) + + + end + + + diff --git a/Rinteg.f b/Rinteg.f new file mode 100755 index 0000000..3534613 --- /dev/null +++ b/Rinteg.f @@ -0,0 +1,66 @@ + + real*8 function rinteg(x,f,fint,n,start) +c****************************************************************************** +c This routine is from ATLAS6 +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*8 x(5000), f(5000), fint(5000) + real*8 a(5000), b(5000), c(5000) + + call parcoe (f,x,a,b,c,n) + fint(1) = start + rinteg = start + n1 = n - 1 + do 10 i=1,n1 + fint(i+1)= (a(i)+b(i)/2.*(x(i+1)+x(i))+ + . c(i)/3.*((x(i+1)+x(i))*x(i+1)+x(i)*x(i)))*(x(i+1)-x(i)) +10 rinteg = rinteg + fint(i+1) + + return + end + + + + + subroutine parcoe(f,x,a,b,c,n) + + implicit real*8 (a-h,o-z) + real*8 f(5000), x(5000), a(5000), b(5000), c(5000) + + c(1)=0. + b(1)=(f(2)-f(1))/(x(2)-x(1)) + a(1)=f(1)-x(1)*b(1) + n1=n-1 + c(n)=0. + b(n)=(f(n)-f(n1))/(x(n)-x(n1)) + a(n)=f(n)-x(n)*b(n) + if(n.eq.2)return + do 1 j=2,n1 + j1=j-1 + d=(f(j)-f(j1))/(x(j)-x(j1)) + c(j)=f(j+1)/((x(j+1)-x(j))*(x(j+1)-x(j1)))-f(j)/((x(j)-x(j1))* + 1(x(j+1)-x(j)))+f(j1)/((x(j)-x(j1))*(x(j+1)-x(j1))) + b(j)=d-(x(j)+x(j1))*c(j) + 1 a(j)=f(j1)-x(j1)*d+x(j)*x(j1)*c(j) + c(2)=0. + b(2)=(f(3)-f(2))/(x(3)-x(2)) + a(2)=f(2)-x(2)*b(2) + c(3)=0. + b(3)=(f(4)-f(3))/(x(4)-x(3)) + a(3)=f(3)-x(3)*b(3) + if(c(j).eq.0.)go to 2 + j1=j+1 + wt=abs(c(j1))/(abs(c(j1))+abs(c(j))) + a(j)=a(j1)+wt*(a(j)-a(j1)) + b(j)=b(j1)+wt*(b(j)-b(j1)) + c(j)=c(j1)+wt*(c(j)-c(j1)) + 2 continue + a(n1)=a(n) + b(n1)=b(n) + c(n1)=c(n) + return + end + + + diff --git a/Setmols.f b/Setmols.f new file mode 100755 index 0000000..14639c5 --- /dev/null +++ b/Setmols.f @@ -0,0 +1,99 @@ + + subroutine setmols +c****************************************************************************** +c This subroutine is invoked at the end of each call to *eqlib*: +c it transfers some of the output number densities to arrays needed +c for opacities, etc. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Mol.com' + include 'Dummy.com' + integer nel(7) + integer append + data (nel(i),i=1,7)/ 1, 2, 6, 12, 13, 14, 26/ + + +c In the number density array "numdens", the elements denoted by +c the first subscripts are named in at the ends of the assignment +c lines; at present these are the only ones needed for continuous +c opacities +c the desired elements are H, He, C, Mg, Al, Si, Fe, along +c with the H_2 molecule +c first do the neutrals + do j=1,7 + do k=1,neq + if (nel(j) .eq. iorder(k)) then + do i=1,ntau + numdens(j,1,i) = xamol(k,i) + enddo + exit + endif + enddo + enddo + + +c*****then do the ions + do j=1,7 + ispec10 = nint(dble(10*nel(j)+1)) + do k=1,nmol + kmol10 = nint(10.*amol(k)) + if (ispec10 .eq. kmol10) then + do i=1,ntau + numdens(j,2,i) = xmol(k,i) + enddo + exit + endif + enddo + enddo + + +c*****finally add in H_2 + do k=1,nmol + ispec = 101 + if (ispec .eq. nint(amol(k))) then + do i=1,ntau + numdens(8,1,i) = xmol(k,i) + enddo + exit + endif + enddo + + +c*****compute partitiion functions for H_2O and CO_2; + do i=1,ntau + h2olog = 0. + co2log = 0. + if (t(i) .gt. 5000.) then + uh2o(i) = 1.d8 + uco2(i) = 1.d8 + else + do j=1,5 + h2olog = h2olog + h2ocoeff(j)*t(i)**(j-1) + co2log = co2log + co2coeff(j)*t(i)**(j-1) + enddo + uh2o(i) = 10**h2olog + uco2(i) = 10**co2log + endif + enddo + + +c*****transfer H_2O and CO_2 number densities from the molecular +c equilibrium output +c note: HITRAN partition functions are given only for T < 5000K + do j=1,nmol + if (nint(amol(j)) .eq. 10108) ih2o = j + if (nint(amol(j)) .eq. 60808) ico2 = j + enddo + do i=1,ntau + xnh2o(i) = xmol(ih2o,i) + xnco2(i) = xmol(ico2,i) + enddo + + +c*****yes, perhaps not the most efficient coding, but it works - I hope + return + + end + diff --git a/Setmols.r b/Setmols.r new file mode 100755 index 0000000..149ba41 --- /dev/null +++ b/Setmols.r @@ -0,0 +1,513 @@ + + subroutine inmodel +c****************************************************************************** +c This subroutine reads in the model +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Mol.com' + include 'Quants.com' + include 'Factor.com' + include 'Dummy.com' + include 'Pstuff.com' + real*8 element(95), logepsilon(95) + real*8 kaprefmass(100) + real*8 bmol(110) + integer nel(7) + character list*80, list2*70 + integer append + data (nel(i),i=1,7)/ 1, 2, 6, 12, 13, 14, 26/ + + +c*****Read in the key word to define the model type + modelnum = modelnum + 1 + rewind nfmodel + read (nfmodel,2001) modtype + write (nf1out,1010) modtype + if (modtype .eq. 'begn ' .or. modtype .eq. 'BEGN ') + . write (nf1out,1011) + + +c*****Read a comment line (usually describing the model) + read (nfmodel,2002) moditle + + +c*****Read the number of depth points + read (nfmodel,2002) list + list2 = list(11:) + read (list2,*) ntau + if (ntau .gt. 100) then + write (array,1012) + call prinfo (10) + stop + endif + + +c*****EITHER: Read in a model from the output of the experimental new +c MARCS code. This modtype is called "NEWMARCS". On each line +c the numbers are: +c tau(5000), t, pe, pgas, rho, model microtrubulent velocity, +c and mean opacity (cm^2/gm) at the reference wavelength (5000A). + if (modtype .eq. 'NEWMARCS ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),ne(i),pgas(i),rho(i), + . vturb(1),kaprefmass(i) + enddo +c*****OR: Read in a model from the output of the on-line new +c MARCS code. This modtype is called "WEBMARCS". On each line +c the numbers are: +c layer number (not needed), log{tau(Rosseland)} (not needed), +c log{tau(5000)}, depth, t, pe, pgas, prad (not read in) and +c pturb (not read in) + elseif (modtype .eq. 'WEBMARCS') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) k, dummy1(k), tauref(i), dummy2(k), t(i), + . ne(i), pgas(i) + enddo +c*****OR: Read in a model from an alternative form of on-line new +c MARCS code. This modtype is called "WEB2MARC". On each line +c the numbers are: +c atmospheric layer number (not needed), log{tau(5000)}, t, +c log(Pe), log(Pgas), rhox + elseif (modtype .eq. 'WEB2MARC') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) k,tauref(i),t(i),ne(i),pgas(i),rhox(i) + enddo +c OR: Read in a model from the output of the ATLAS code. This +c modtype is called "KURUCZ". On each line the numbers are: +c rhox, t, pgas, ne, and Rosseland mean opacity (cm^2/gm), and +c two numbers not used by MOOG. + elseif (modtype .eq. 'KURUCZ ') then + do i=1,ntau + read (nfmodel,*) rhox(i),t(i),pgas(i),ne(i),kaprefmass(i) + enddo +c OR: Read in a model from the output of the NEXTGEN code. This +c modtype is called "NEXTGEN". These models have tau scaled at a +c specific wavelength that is read in before the model. MOOG will +c need to generate the opacities internally.On each line the numbers +c are: tau, t, pgas, pe, density, mean molecular weight, two numbers +c not used by MOOG, and Rosseland mean opacity (cm^2/gm). + elseif (modtype .eq. 'NEXTGEN ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i), rho(i), + . molweight(i), x2, x3, kaprefmass(i) + enddo +c OR: Read in a model from the output of the MARCS code. This modtype +c type is called "BEGN". On each line the numbers are: +c tauross, t, log(pg), log(pe), mol weight, and kappaross. + elseif (modtype .eq. 'BEGN ') then + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i), + . molweight(i), kaprefmass(i) + enddo +c OR: Read in a model generated from ATLAS, but without accompanying +c opacities. MOOG will need to generate the opacities internally, +c using a reference wavelength that it reads in before the model. + elseif (modtype .eq. 'KURTYPE') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) rhox(i),t(i),pgas(i),ne(i) + enddo +c OR: Read in a model generated from ATLAS, with output generated +c in Padova. The columns are in somewhat different order than normal + elseif (modtype .eq. 'KUR-PADOVA') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),kaprefmass(i), + . ne(i),pgas(i),rho(i) + enddo +c OR: Read in a generic model that has a tau scale at a specific +c wavelength that is read in before the model. +c MOOG will need to generate the opacities internally. + elseif (modtype .eq. 'GENERIC ') then + read (nfmodel,*) wavref + do i=1,ntau + read (nfmodel,*) tauref(i),t(i),pgas(i),ne(i) + enddo +c OR: quit in utter confusion if those model types are not specified + else + write (*,1001) + stop + endif + + +c*****Compute other convenient forms of the temperatures + do i=1,ntau + theta(i) = 5040./t(i) + tkev(i) = 8.6171d-5*t(i) + tlog(i) = dlog(t(i)) + enddo + + +c*****Convert from logarithmic Pgas scales, if needed + if (pgas(ntau)/pgas(1) .lt. 10.) then + do i=1,ntau + pgas(i) = 10.0**pgas(i) + enddo + endif + + +c*****Convert from logarithmic Ne scales, if needed + if(ne(ntau)/ne(1) .lt. 20.) then + do i=1,ntau + ne(i) = 10.0**ne(i) + enddo + endif + + +c*****Convert from Pe to Ne, if needed + if(ne(ntau) .lt. 1.0e7) then + do i=1,ntau + ne(i) = ne(i)/1.38054d-16/t(i) + enddo + endif + + +c*****compute the atomic partition functions + do j=1,95 + elem(j) = dble(j) + call partfn (elem(j),j) + enddo + + +c*****Read the microturbulence (either a single value to apply to +c all layers, or a value for each of the ntau layers). +c Conversion to cm/sec from km/sec is done if needed + read (nfmodel,2003) (vturb(i),i=1,6) + if (vturb(2) .ne. 0.) then + read (nfmodel,2003) (vturb(i),i=7,ntau) + else + do i=2,ntau + vturb(i) = vturb(1) + enddo + endif + if (vturb(1) .lt. 100.) then + write (moditle(55:62),1008) vturb(1) + do i=1,ntau + vturb(i) = 1.0e5*vturb(i) + enddo + else + write (moditle(55:62),1008) vturb(1)/1.0e5 + endif + + +c*****Read in the abundance data, storing the original abundances in xabu +c*****The abundances not read in explicity are taken from the default +c*****solar ones contained in array xsolar. + read (nfmodel,2002) list + list2 = list(11:) + read (list2,*) natoms,abscale + write (moditle(63:73),1009) abscale + if(natoms .ne. 0) + . read (nfmodel,*) (element(i),logepsilon(i),i=1,natoms) + xhyd = 10.0**xsolar(1) + xabund(1) = 1.0 + xabund(2) = 10.0**xsolar(2)/xhyd + do i=3,95 + xabund(i) = 10.0**(xsolar(i)+abscale)/xhyd + xabu(i) = xabund(i) + enddo + if (natoms .ne. 0) then + do i=1,natoms + xabund(idint(element(i))) = 10.0**logepsilon(i)/xhyd + xabu(idint(element(i))) = 10.0**logepsilon(i)/xhyd + enddo + endif + +c*****Compute the mean molecular weight, ignoring molecule formation +c in this approximation (maybe make more general some day?) + wtnum = 0. + wtden = 0. + do i=1,95 + wtnum = wtnum + xabund(i)*xam(i) + wtden = wtden + xabund(i) + enddo + wtmol = wtnum/(xam(1)*wtden) + nomolweight = 0 + if (modtype .eq. 'BEGN ' .or. modtype .eq. 'NEXTGEN ') then + nomolweight = 1 + endif + if (nomolweight .ne. 1) then + do i=1,ntau + molweight(i) = wtmol + enddo + endif + +c*****Compute the density + if (modtype .ne. 'NEXTGEN ') then + do i=1,ntau + rho(i) = pgas(i)*molweight(i)*1.6606d-24/(1.38054d-16*t(i)) + enddo + endif + + +c*****Calculate the fictitious number density of hydrogen +c Note: ph = (-b1 + dsqrt(b1*b1 - 4.0*a1*c1))/(2.0*a1) + iatom = 1 + call partfn (dble(iatom),iatom) + do i=1,ntau + th = 5040.0/t(i) + ah2 = 10.0**(-(12.7422+(-5.1137+(0.1145-0.0091*th)*th)*th)) + a1 = (1.0+2.0*xabund(2))*ah2 + b1 = 1.0 + xabund(2) + c1 = -pgas(i) + ph = (-b1/2.0/a1)+dsqrt((b1**2/(4.0*a1*a1))-(c1/a1)) + nhtot(i) = (ph+2.0*ph*ph*ah2)/(1.38054d-16*t(i)) + enddo + + +c*****Molecular equilibrium called here. +c First, a default list of ions and molecules is considered. Then the +c user's list is read in. A check is performed to see if any of these +c species need to be added. If so, then they are appended to the +c default list. The molecular equilibrium routine is then called. +c Certain species are important for continuous opacities and damping +c calculations - these are read from the equilibrium solution and +c saved. + + +c*****Set up the default molecule list + if (molset .eq. 0) then + nmol = 30 + else + nmol = 59 + endif + if (molset .eq. 0) then + do i=1,110 + amol(i) = smallmollist(i) + enddo + elseif (molset .eq. 1) then + do i=1,110 + amol(i) = largemollist(i) + enddo + else + array = 'molset = 0 or 1 only; I quit!' + call putasci (29,6) + stop + endif + + +c*****Read in the names of additional molecules to be used in +c molecular equilibrium if needed. + read (nfmodel,2002,end=101) list + list2 = list(11:) + read (list2,*) moremol + if (moremol .ne. 0) then + read (nfmodel,*) (bmol(i),i=1,moremol) + append = 1 + do k=1,moremol + do l=1,nmol + if (nint(bmol(k)) .eq. nint(amol(l))) + . append = 0 + enddo + if (append .eq. 1) then + nmol = nmol + 1 + amol(nmol) = bmol(k) + endif + append = 1 + enddo + endif + + +c*****do the general molecular equilibrium +101 call eqlib + call resetmol + + +c In the number density array "numdens", the elements denoted by +c the first subscripts are named in at the ends of the assignment +c lines; at present these are the only ones needed for continuous +c opacities +c the desired elements are H, He, C, Mg, Al, Si, Fe, along +c with the H_2 molecule +c first do the neutrals + do j=1,7 + do k=1,neq + if (nel(j) .eq. iorder(k)) then + do i=1,ntau + numdens(j,1,i) = xamol(k,i) + enddo + exit + endif + enddo + enddo +c then do the ions + do j=1,7 + ispec10 = nint(dble(10*nel(j)+1)) + do k=1,nmol + kmol10 = nint(10.*amol(k)) + if (ispec10 .eq. kmol10) then + do i=1,ntau + numdens(j,2,i) = xmol(k,i) + enddo + exit + endif + enddo + enddo +c finally add in H_2 + do k=1,nmol + ispec = 101 + if (ispec .eq. nint(amol(k))) then + do i=1,ntau + numdens(8,1,i) = xmol(k,i) + enddo + exit + endif + enddo + + +c*****compute partitiion functions for H_2O and CO_2; + do i=1,ntau + h2olog = 0. + co2log = 0. + if (t(i) .gt. 5000.) then + uh2o(i) = 1.d8 + uco2(i) = 1.d8 + else + do j=1,5 + h2olog = h2olog + h2ocoeff(j)*t(i)**(j-1) + co2log = co2log + co2coeff(j)*t(i)**(j-1) + enddo + uh2o(i) = 10**h2olog + uco2(i) = 10**co2log + endif + enddo + + +c*****transfer H_2O and CO_2 number densities from the molecular +c equilibrium output +c note: HITRAN partition functions are given only for T < 5000K + do j=1,nmol + if (nint(amol(j)) .eq. 10108) ih2o = j + if (nint(amol(j)) .eq. 60808) ico2 = j + enddo + do i=1,ntau + xnh2o(i) = xmol(ih2o,i) + xnco2(i) = xmol(ico2,i) + enddo + + +c*****SPECIAL NEEDS: for NEWMARCS models, to convert kaprefs to our units + if (modtype .eq. 'NEWMARCS ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for KURUCZ models, to create the optical depth array, +c and to convert kaprefs to our units + elseif (modtype .eq. 'KURUCZ ') then + first = rhox(1)*kaprefmass(1) + tottau = rinteg(rhox,kaprefmass,tauref,ntau,first) + tauref(1) = first + do i=2,ntau + tauref(i) = tauref(i-1) + tauref(i) + enddo + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for NEXTGEN models, to convert kaprefs to our units + elseif (modtype .eq. 'NEXTGEN ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for BEGN models, to convert kaprefs to our units + elseif (modtype .eq. 'BEGN ') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for KURTYPE models, to create internal kaprefs, +c and to compute taurefs from the kaprefs converted to mass units + elseif (modtype .eq. 'KURTYPE ') then + call opacit (1,wavref) + do i=1,ntau + kaprefmass(i) = kapref(i)/rho(i) + enddo + first = rhox(1)*kaprefmass(1) + tottau = rinteg(rhox,kaprefmass,tauref,ntau,first) + tauref(1) = first + do i=2,ntau + tauref(i) = tauref(i-1) + tauref(i) + enddo +c SPECIAL NEEDS: for NEWMARCS models, to convert kaprefs to our units + elseif (modtype .eq. 'KUR-PADOVA') then + do i=1,ntau + kapref(i) = kaprefmass(i)*rho(i) + enddo +c SPECIAL NEEDS: for generic models, to create internal kaprefs, + elseif (modtype .eq. 'GENERIC ' .or. + . modtype .eq. 'WEBMARCS ' .or. + . modtype .eq. 'WEB2MARC ') then + call opacit (1,wavref) + endif + + +c*****Convert from logarithmic optical depth scales, or vice versa. +c xref will contain the log of the tauref + if(tauref(1) .lt. 0.) then + do i=1,ntau + xref(i) = tauref(i) + tauref(i) = 10.0**xref(i) + enddo + else + do i=1,ntau + xref(i) = dlog10(tauref(i)) + enddo + endif + + +c*****Write information to output files + if (modprintopt .lt. 1) return + write (nf1out,1002) moditle + do i=1,ntau + dummy1(i) = dlog10(pgas(i)) + dummy2(i) = dlog10(ne(i)*1.38054d-16*t(i)) + enddo + write (nf1out,1003) wavref,(i,xref(i),tauref(i),t(i),dummy1(i), + . pgas(i),dummy2(i),ne(i),vturb(i),i=1,ntau) + write (nf1out,1004) + do i=1,95 + dummy1(i) = dlog10(xabund(i)) + 12.0 + enddo + write (nf1out,1005) (names(i),i,dummy1(i),i=1,95) + write (nf1out,1006) modprintopt, molopt, linprintopt, fluxintopt + write (nf1out,1007) (kapref(i),i=1,ntau) + return + + +c*****format statements +2001 format (a10) +2002 format (a80) +2003 format (6d13.0) +1001 format('permitted model types are:'/'KURUCZ, BEGN, ', + . 'KURTYPE, KUR-PADOVA, NEWMARCS, WEBMARCS, NEXTGEN, ', + . 'WEB2MARC, or GENERIC'/ 'MOOG quits!') +1002 format (/'MODEL ATMOSPHERE HEADER:'/a80/) +1003 format ('INPUT ATMOSPHERE QUANTITIES', 10x, + . '(reference wavelength =',f10.2,')'/3x, 'i', 2x, 'xref', + . 3x, 'tauref', 7x, 'T', 6x, 'logPg', 4x, 'Pgas', + . 6x, 'logPe', 5x, 'Ne', 9x, 'Vturb'/ + . (i4, 0pf6.2, 1pd11.4, 0pf9.1, f8.3, 1pd11.4, 0pf8.3, + . 1pd11.4, d11.2)) +1004 format (/'INPUT ABUNDANCES: (log10 number densities, log H=12)'/ + . ' Default solar abundances: Asplund et al. 2009') +1005 format (5(3x,a2, '(',i2,')=', f5.2)) +1006 format (/'OPTIONS: atmosphere = ', i1, 5x, 'molecules = ', i1/ + . ' lines = ', i1, 5x, 'flux/int = ', i1) +1007 format (/'KAPREF ARRAY:'/(6(1pd12.4))) +1008 format ('vt=', f5.2) +1009 format (' M/H=', f5.2) +1010 format (13('-'),'MOOG OUTPUT FILE', 10('-'), + . '(MOOG version from 01/28/09)', 13('-')// + . 'THE MODEL TYPE: ', a10) +1011 format (' The Rosseland opacities and optical depths have ', + . 'been read in') +1012 format ('HOUSTON, WE HAVE MORE THAN 100 DEPTH POINTS! I QUIT!') + + + end + diff --git a/Smooth.f b/Smooth.f new file mode 100755 index 0000000..4acd92b --- /dev/null +++ b/Smooth.f @@ -0,0 +1,523 @@ + + subroutine smooth (line,ncall) +c****************************************************************************** +c This subroutine prepares synthesis data for plotting by smoothing +c the data in various ways. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + real*4 shortnum + character*5 abchars + character*4 isochars + + +c*****initialize parameters + write (abitle(1:400),1081) + write (isoitle(1:240),1082) + nsyn = 1 + if (ncall .eq. 1) then + gaussflag = 'f' + rotateflag = 'f' + lorenflag = 'f' + macroflag = 'f' + if (choice .ne. 'l') addflux = 0. + endif + + +c*****on entering, figure out what kind of smoothing is desired, unless +c the default smoothing options have been set for first pass + if (line .gt. 0) then +2 write (array,1007) + istat = ivwrite (line,3,array,67) + write (array,1004) + istat = ivwrite (line+1,3,array,50) + array = 'What is your choice? ' + nchars = 21 + call getasci (nchars,line+2) + smtype = chinfo(1:1) + if (smtype.ne.'n' .and. smtype.ne.'g' .and. + . smtype.ne.'l' .and. smtype.ne.'v' .and. + . smtype.ne.'m' .and. smtype.ne.'c' .and. + . smtype.ne.'d' .and. smtype.ne.'r' .and. + . smtype.ne.'p') go to 2 + endif + + +c if a user-specified variable Gaussian smoothing over the spectral range +c is called for, option 'p', branch to a different routine + if (smtype .eq. 'p') then + call vargauss (line+1) + return + endif + + +c*****rewind the unsmoothed and smoothed spectrum output +c files, and get the synthesis range parameters from the 'dump' file + rewind nf2out + rewind nf3out + do i=1,20 + read (nf2out,1002) array + if (array(1:7).eq.'element' .or. + . array(1:7).eq.'Changin' .or. + . array(1:7).eq.'ALL abu' .or. + . array(1:7).eq.'Isotopi') then + cycle + elseif (array(1:7).eq.'MODEL: ') then + moditle(1:73) = array(8:80) + read (nf2out,*) start, sstop, step + kount = int((sstop - start + (step/4.0) )/step) + 1 + exit + endif + enddo + + +c*****branch to the desired smoothing function + write (smitle,1010) smtype + ism = 11 + if (smtype .eq. 'l') then + lorenflag = 't' + elseif (smtype .eq. 'g') then + gaussflag = 't' + elseif (smtype .eq. 'v') then + rotateflag = 't' + elseif (smtype .eq. 'c') then + rotateflag = 't' + gaussflag = 't' + elseif (smtype .eq. 'm') then + macroflag = 't' + elseif (smtype .eq. 'd') then + macroflag = 't' + gaussflag = 't' + elseif (smtype .eq. 'r') then + macroflag = 't' + rotateflag = 't' + gaussflag = 't' + endif + + +c*****compute a stellar rotational broadening function; this follows +c D. F. Gray, 1976, "The Obs. & Anal. of Stell. Phot", p394-9 + if (rotateflag .eq. 't') then +32 array = 'GIVE THE STELLAR vsini [0.0]: ' + nchars = 30 + if (line .gt. 0) then + call getnum (nchars,line+2,vsini,shortnum) + if (vsini .eq. -9999.) vsini = 0. + endif + if (vsini .lt. 0.0) go to 32 + write (smitle(ism+1:ism+13),1011) vsini + ism = ism + 13 +31 array = 'GIVE THE LIMB DARKENING COEFFICIENT [0.0]: ' + nchars = 43 + if (line .gt. 0) then + call getnum (nchars,line+2,limbdark,shortnum) + if (limbdark .eq. -9999.) limbdark = 0. + endif + if (limbdark .lt. 0.0) go to 31 + write (smitle(ism+1:ism+13),1012) limbdark + ism = ism + 13 + dlamlim = (start+sstop)/2.*vsini/3.0e5 + if (step .ge. dlamlim) then + rotateflag = 'f' + else + pi = 3.141527 + bottom = dlamlim*pi*(1.-limbdark/3.) + c1 = 2.*(1.-limbdark)/bottom + c2 = 0.5*limbdark*pi/bottom + prot0 = c1 + c2 + powerrot = prot0 + jdelrot = idint(dlamlim/step) + if (jdelrot .gt. 1000) then + write (*,1026) + smtype = 'e' + return + elseif (jdelrot .gt. kount/4) then + write (*,1028) + smtype = 'e' + return + endif + do i=1,jdelrot + dlam = (i-1)*step + term = 1. - (dlam/dlamlim)**2 + prot(i) = c1*dsqrt(term) + c2*term + powerrot = powerrot + 2.0*prot(i) + enddo + endif + endif + + +c*****compute a macroturbulent smoothing function (uses subroutine vmacro) + if (macroflag .eq. 't') then +51 array = 'GIVE THE MACROTURBULENT VELOCITY [0.0]: ' + nchars = 39 + if (line .gt. 0) then + call getnum (nchars,line+2,vmac,shortnum) + if (vmac .eq. -9999.) vmac = 0. + endif + if (vmac .lt. 0.0) go to 51 + write (smitle(ism+1:ism+13),1013) vmac + ism = ism + 13 + if (vmac .eq. 0.) then + macroflag = 'f' + else + wavemac = (start+sstop)/2.*vmac/3.0e5 + powermac = 1.0 + do i=1,1000 + wavei = step*i/wavemac + pmac(i) = vmacro(wavei) + powermac = powermac + 2.0 *pmac(i) + if (pmac(i) .lt. 0.002) then + jdelmac = i + exit + endif + enddo + if (jdelmac .gt. 1000) then + write (*,1025) wavemac + smtype = 'e' + return + elseif (jdelmac .gt. kount/4) then + write (*,1022) + smtype = 'e' + return + endif + endif + endif + + +c*****compute a Gaussian smoothing function + if (gaussflag .eq. 't') then +11 array = 'GIVE THE FWHM OF THE GAUSSIAN FUNCTION [0.0]: ' + nchars = 46 + if (line .gt. 0) then + call getnum (nchars,line+2,fwhmgauss,shortnum) + if (fwhmgauss .eq. -9999.) fwhmgauss = 0. + endif + if (fwhmgauss .lt. 0.0) go to 11 + write (smitle(ism+1:ism+18),1014) fwhmgauss + ism = ism + 18 + if (fwhmgauss .eq. 0.) then + gaussflag = 'f' + else + sigma = fwhmgauss/2. + aa = 0.6932/sigma**2 + power = 1.0 + do i=1,1000 + p(i) = dexp(-aa*(step*i)**2 ) + power = power + 2*p(i) + if (p(i) .lt. 0.02) then + jdel = i + exit + endif + enddo + if (jdel .gt. 1000) then + write (*,1029) sigma + smtype = 'e' + return + elseif (jdel .gt. kount/4) then + write (*,1021) + smtype = 'e' + return + endif + endif + endif + + +c*****compute a Lorenzian smoothing function + if (lorenflag .eq. 't') then +21 array = 'GIVE THE FWHM OF THE LORENTZIAN FUNCTION [0.0]: ' + nchars = 48 + if (line .gt. 0) then + call getnum (nchars,line+2,fwhmloren,shortnum) + if (fwhmloren .eq. -9999.) fwhmloren = 0. + endif + if (fwhmloren .lt. 0.0) go to 21 + write (smitle(ism+1:ism+20),1015) fwhmloren + ism = ism + 20 + if (fwhmloren .eq. 0.) then + lorenflag = 'f' + else + sigma = fwhmloren/2. + power = 1.0 + do i=1,1000 + p(i) = ((sigma**2)/((sigma**2)+((step*i)**2))) + power = power + 2.0 *p(i) + if (p(i) .lt. 0.02) then + jdel = i + exit + endif + enddo + if (jdel .gt. 1000) then + write (*,1030) sigma + smtype = 'e' + return + elseif (jdel .gt. kount/4) then + write (*,1031) + smtype = 'e' + return + endif + endif + endif + + +c*****finally there is a big loop that will read in the raw synthetic spectra, +c*****beginning with grabbing the information that appears before the array +c*****spectrum depth array, Note that after the depth array is input, the +c*****code will flip to a flux scale + rewind nf2out + do nsyn=1,100 + + +c*****here is the reading/grabbing of stuff preceding the depth array: + naboff = 80*(nsyn-1) + nabunds = 0 + nisos = 0 + do i=1,20 + read (nf2out,1002,end=2000) array + if (array(1:7).eq.'ALL abu') then + cycle + elseif (array(1:7).eq.'Changin') then + abitle (naboff+1:naboff+23) = '[M/H] FOR ALL ELEMENTS:' + abitle (naboff+24:naboff+29) = array(32:37) + cycle + elseif (array(1:7).eq.'element') then + nabunds = nabunds + 1 + if (control .eq. 'binary ') then + if (nabunds .le. 5) then + ioff = naboff + 16*(nabunds-1) + abitle(ioff+1:ioff+2) = array(9:10) + abitle(ioff+3:ioff+14) = array(26:37) + abitle(ioff+15:ioff+16) = ' ' + endif + else + if (nabunds .le. 8) then + ioff = naboff + 9*(nabunds-1) + abitle(ioff+1:ioff+2) = array(9:10) + read (array(26:32),*) abnum + if (abnum .gt. 0) then + write (abchars,1061) abnum + elseif (abnum .le. -10.) then + write (abchars,1062) abnum + else + write (abchars,1063) abnum + endif + abitle(ioff+3:ioff+7) = abchars + abitle(ioff+8:ioff+9) = ' ' + endif + endif + cycle + elseif (array(1:7).eq.'Isotopi') then + nisos = nisos + 1 + if (nisos .le. 6) then + read (array(37:46),1050) ratio + if (ratio .ge. 1000.) then + write (isochars,1054) int(ratio) + elseif (ratio .ge. 100.) then + write (isochars,1051) ratio + elseif (ratio .ge. 10.) then + write (isochars,1052) ratio + else + write (isochars,1053) ratio + endif + if (nsyn .eq. 1) then + ioff = 40*(nisos-1) + 5*(nsyn-1) + isoitle(ioff+1:ioff+10) = array(23:32) + isoitle(ioff+11:ioff+12) = ': ' + isoitle(ioff+13:ioff+16) = isochars(1:4) + isoitle(ioff+17:ioff+17) = '/' + else + ioff = 12 + 40*(nisos-1) + 5*(nsyn-1) + isoitle(ioff+1:ioff+4) = isochars(1:4) + isoitle(ioff+5:ioff+5) = '/' + endif + endif + elseif (array(1:7).eq.'MODEL: ') then + read (nf2out,1002) array + exit + endif + enddo + + +c*****here is the actual reading of the depth array + read (nf2out,1003,end=2000) (y(i),i=1,kount) + do i=1,kount + y(i) = 1.0 - y(i) + enddo + + +c*****here a veiling addition can be added in + if (addflux .gt. 0.0) then + do i=1,kount + y(i) = (y(i) + addflux)/(1.0+addflux) + enddo + endif + + +c*****apply the rotational broadening if desired + if (rotateflag .eq. 't') then + min = jdelrot + 1 + max = kount - jdelrot + do i=1,jdelrot + z(i) = 1. + z(kount-i+1) = 1. + enddo + do i=min,max + z(i) = prot0*y(i) + do j=1,jdelrot + z(i) = z(i) + prot(j)*(y(i-j) + y(i+j)) + enddo + z(i) = z(i)/powerrot + enddo + do i=1,kount + y(i) = z(i) + enddo + endif + + +c*****apply the macroturbulent broadening if desired + if (macroflag .eq. 't') then + min = jdelmac + 1 + max = kount - jdelmac + do i=1,jdelmac + z(i) = 1. + z(kount-i+1) = 1. + enddo + do i=min,max + z(i) = y(i) + do j=1,jdelmac + z(i) = z(i) + pmac(j)*(y(i-j) + y(i+j)) + enddo + z(i) = z(i)/powermac + enddo + do i=1,kount + y(i) = z(i) + enddo + endif + + +c*****apply the Gaussian or Lorenzian smoothing if desired (this +c is an either/or situation; only one of these can apply. + if (gaussflag .eq. 't' .or. lorenflag .eq. 't') then + min = jdel + 1 + max = kount - jdel + do i=1,jdel + z(i) = 1. + z(kount-i+1) = 1. + enddo + do i=min,max + z(i) = y(i) + do j=1,jdel + z(i) = z(i) + p(j)*(y(i-j) + y(i+j)) + enddo + z(i) = z(i)/power + enddo + do i=1,kount + y(i) = z(i) + enddo + endif + + +c*****move the smoothed spectrum (or unsmoothed, if nothing has +c been done to the y-array) into the appropriate array + do i = 1,kount + chunk(i,nsyn) = y(i) + enddo + + +c*****compute the wavelength array; must be done for each synthetic +c spectrum because of the way the equivalences were set up + if (iunits .eq. 1) then + do i=1,kount + xsyn(i) = 1.d-4*(start + (i-1)*step) + enddo + else + do i=1,kount + xsyn(i) = start + (i-1)*step + enddo + endif + + +c*****dump the smoothed spectrum in a MONGO-style set of +c (wavelength,flux) point pairs + write (nf3out,1005) kount,start,sstop,step + if (xsyn(1) .le. 100.0) then + write (nf3out,1009) (xsyn(i),chunk(i,nsyn),i=1,kount) + else + write (nf3out,1008) (xsyn(i),chunk(i,nsyn),i=1,kount) + endif + enddo + + +c*****exit the routine normally +2000 nsyn = nsyn - 1 + return + + +c*****a problem has developed in user-specified parameter (like a Gaussian +c FWHM being too big); print out a warning and let user decide what +c to do next + + +c*****format statements +1002 format (a80) +1003 format (10f7.4) +1004 format (' c=v+g, d=m+g, r=m+v+g, p=VARIABLE GAUSS') +1005 format ('the number of points per synthesis = ',i5/ + . 'start = ',f10.3,5x,'stop = ',f10.3,5x,'step = ',f10.3) +1007 format ('SMOOTHING: n=NONE, g=GAUSS, l=LORENZ, ', + . 'v=ROTATION, m=MACROTURBULENCE') +1008 format (f10.3,' ',f10.5) +1009 format (f10.6,' ',f10.5) +1010 format ('smoothing=',a1,69x) +1011 format (' Vsini=',f5.1) +1012 format (' L.D.C.=',f4.2) +1013 format (' Vmacro=',f4.1) +1014 format (' FWHMgauss=',f6.3) +1015 format (' FWHMlorentz=',f6.3) +1021 format ('ERROR: GAUSSIAN PROFILE COVERS WHOLE ', + . 'SPECTRUM!'/ + . ' INCREASE SYNTHESIS LENGTH OR DECREASE ', + . 'STEP SIZE?') +1022 format ('ERROR: MACROTURBULENT PROFILE COVERS WHOLE ', + . 'SPECTRUM!'/ + . ' INCREASE SYNTHESIS LENGTH OR DECREASE ', + . 'STEP SIZE?') +1025 format ('ERROR: MACROTURBULENT PROFILE TOO BIG! ', + . '(WAVELENGTH WIDTH=',f6.2,')'/ + . ' INCREASE SPECTRUM STEP SIZE?') +1026 format ('ERROR: ROTATIONAL PROFILE TOO BIG!'/ + . ' INCREASE SPECTRUM STEP SIZE?') +1028 format ('ERROR: ROTATIONAL PROFILE COVERS WHOLE ', + . 'SPECTRUM!'/ + . ' INCREASE SYNTHESIS LENGTH OR DECREASE ', + . 'STEP SIZE?') +1029 format ('ERROR: GAUSSIAN PROFILE TOO BIG! ', + . '(HALF WIDTH=',f6.2,')'/ + . ' INCREASE SPECTRUM STEP SIZE?') +1030 format ('ERROR: LORENZIAN PROFILE TOO BIG! ', + . '(HALF WIDTH=',f6.2,')'/ + . ' INCREASE SPECTRUM STEP SIZE?') +1031 format ('ERROR: LORENZIAN PROFILE COVERS WHOLE ', + . 'SPECTRUM!'/ + . ' INCREASE SYNTHESIS LENGTH OR DECREASE ', + . 'STEP SIZE?') +1050 format (f10.3) +1051 format (f4.0) +1052 format (f4.1) +1053 format (f4.2) +1054 format (i4) +1061 format ('+', f4.2) +1062 format (f5.1) +1063 format (f5.2) +1081 format (400(' ')) +1082 format (240(' ')) + + end + + + + + diff --git a/Specplot.f b/Specplot.f new file mode 100755 index 0000000..4e8f026 --- /dev/null +++ b/Specplot.f @@ -0,0 +1,335 @@ + + subroutine specplot +c****************************************************************************** +c This routine produces MONGO plots of the syntheses. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Quants.com' + include 'Factor.com' + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + include 'Multistar.com' + real*4 style(1) + real*4 yup,ydown + integer iflip + + +c*****for grid syntheses, dump out relevant information to a file + if (choice .eq. 'g') then + write (nf6out,3001) syncount + write (nf6out,3002) obsitle, moditle, linitle, smitle + endif + + +c*****begin with a default window + call sm_location (3500,31000,4000,30000) + call sm_window (1,1,1,1,1,1) + call sm_limits (0.0,1.0,0.0,1.0) + call defcolor (1) + + +c*****write smoothing information at the top of the plot + call sm_lweight (2.2) + call sm_expand (0.7) + call sm_relocate (-0.120,1.015) + call sm_label (smitle) + + + if (isoitle(1:10) .eq. ' ') then + isoitle(1:16) = 'no isotopic data' + endif + call sm_relocate (-0.120,1.075) + call sm_label (isoitle(1:120)) + if (numiso .gt. 3) then + call sm_relocate (-0.120,1.045) + call sm_label (isoitle(121:240)) + endif + if (control .eq. 'gridplo' .or. + . control .eq. 'gridsyn' .or. + . control .eq. 'gridend') then + write (nf6out,3002) isoitle(1:120) + write (nf6out,3002) isoitle(121:240) + endif + + +c*****define the real plot limits + if (xlo .lt. xhi) then + call sm_limits (xlo,xhi,ylo,yhi) + iflip = 0 + else + call sm_limits (xhi,xlo,ylo,yhi) + iflip = 1 + endif + call findtic (xlo,xhi,bigxtic,smlxtic) + call findtic (ylo,yhi,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + + +c*****draw and label the box for the spectra + call defcolor (1) + if (whichwin .eq. '1of1') then + idev = 1 + call sm_window (1,1,1,1,1,1) + else + idev = 2 + call sm_defvar ('y_gutter','0.0') + call sm_window (1,2,1,1,1,1) + endif + call sm_lweight (4.0) + call sm_expand (1.2) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (1,2,4,4) + if (iflip .eq. 1) then + array = 'Wavenumber' + else + array = 'Wavelength' + endif + call sm_xlabel (array) + array = 'Rel Flux' + call sm_ylabel (array) + + +c*****plot the synthetic spectra + call sm_lweight (2.2) + call sm_expand (0.7) + do i=1,100 + if (pec(i) .ne. 0) go to 111 + enddo +111 do j=1,nsyn + if (choice.eq.'h' .or. choice.eq.'f' .or. + . choice.eq.'g') then + call defcolor (8) + call sm_ltype (j-1) + else + if (smterm(1:3) .eq. 'x11') then + call defcolor (j+1) + call sm_ltype (0) + else + call defcolor (1) + call sm_ltype (j-1) + endif + endif + call sm_connect (xsyn,chunk(1,j),kount) + if (iflip .eq. 1) then + call sm_relocate (xhi+0.045*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_draw (xhi+0.005*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_relocate (xhi+0.05*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + else + call sm_relocate (xlo+0.045*(xhi-xlo), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_draw (xlo+0.005*(xlo-xhi), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + call sm_relocate (xlo+0.05*(xhi-xlo), + . ylo+(0.12+0.06*j)*(yhi-ylo)) + endif + noff = 80*(j-1) + call sm_lweight (2.2) + call sm_label (abitle(noff+1:noff+80)) + if ((control .eq. 'gridplo' .or. + . control .eq. 'gridsyn' .or. + . control .eq. 'gridend') .and. + . whichwin.eq.'1of1') then + write (nf6out,3002) abitle(noff+1:noff+80) + endif + enddo + call defcolor (1) + call sm_ltype (0) + + +c*****plot the observed spectrum + if (plotopt .eq. 2) then + call defcolor (1) + if (choice.eq.'h' .or. choice.eq.'f' .or. + . choice.eq.'g') then + call sm_lweight (4.0) + else + call sm_lweight (2.2) + endif + call sm_ltype (0) + call sm_expand (3.0) + style(1) = 43.5 + call sm_ptype (style,1) + mount = lim2obs - lim1obs + 1 + if (mount .lt. 500) then + call sm_points (xobs(lim1obs),yobs(lim1obs),mount) + else + if (histoyes .eq. 1) then + call sm_histogram (xobs(lim1obs),yobs(lim1obs),mount) + else + call sm_connect (xobs(lim1obs),yobs(lim1obs),mount) + endif + endif + call sm_lweight (2.2) + call sm_expand (0.7) + if (iflip .eq. 1) then + call sm_relocate (xhi+0.05*(xlo-xhi),ylo+0.12*(yhi-ylo)) + else + call sm_relocate (xlo+0.05*(xhi-xlo),ylo+0.12*(yhi-ylo)) + endif + call sm_label (obsitle) + endif + if (iflip .eq. 1) then + call sm_relocate (xhi+0.05*(xlo-xhi),ylo+0.06*(yhi-ylo)) + else + call sm_relocate (xlo+0.05*(xhi-xlo),ylo+0.06*(yhi-ylo)) + endif + call sm_label (moditle) + if (whichwin.eq.'1of1' .or. plotopt.ne.2) then + return + endif + + +c*****this section of code is executed only if a deviations plot is desired; +c find the starting and stopping points in the arrays for the deviations + if (xsyn(kount) .le. xobs(lim1obs)) go to 1000 + if (xsyn(1) .gt. xobs(lim2obs)) go to 1000 + if (xsyn(1) .gt. xobs(lim1obs)) go to 150 + lim3obs = lim1obs + do k=2,kount + if (xsyn(k) .gt. xobs(lim3obs)) then + lim1syn = k - 1 + go to 155 + endif + enddo +150 lim1syn = 1 + do l=lim1obs,lim2obs + if (xsyn(lim1syn) .le. xobs(l)) then + lim3obs = l + go to 155 + endif + enddo +155 if (xsyn(kount) .lt. xobs(lim2obs)) go to 160 + lim4obs = lim2obs + do k=lim1syn,kount + if (xsyn(k) .gt. xobs(lim4obs)) then + lim2syn = k + go to 165 + endif + enddo +160 lim2syn = kount + do l=lim3obs,lim2obs + if (xsyn(lim2syn) .lt. xobs(l)) then + lim4obs = l - 1 + go to 165 + endif + enddo + + +c compute the deviations; linear interpolation in the wavelength array +c of the synthetic spectra is considered sufficient +165 open (222,file='devfile') + do j=1,nsyn + lpoint = lim1syn + devsigma = 0. + do i=lim3obs,lim4obs +170 if (xsyn(lpoint+1) .lt. xobs(i)) then + lpoint = lpoint + 1 + go to 170 + endif + syninterp = (chunk(lpoint+1,j)-chunk(lpoint,j))* + . (xobs(i)-xsyn(lpoint))/(xsyn(lpoint+1)-xsyn(lpoint)) + + . chunk(lpoint,j) + dev(i) = yobs(i) - syninterp + devsigma = devsigma + dev(i)**2 + enddo + devsigma = dsqrt(devsigma/(lim4obs-lim3obs-1)) + write (222,1222) j +1222 format ('deviation array ', i1) + write (222,1223) (xobs(i),dev(i),i=lim3obs,lim4obs) +1223 format (f10.3, f8.3) + + +c from first set of deviations, define the plot limits, draw and label box + if (j .eq. 1) then + yup = -1000. + ydown = +1000. + do i=lim3obs,lim4obs + yup = amax1(yup,dev(i)) + ydown = amin1(ydown,dev(i)) + enddo + ydelta = amin1(0.3,amax1(0.05,1.5*(yup-ydown)/2.)) + ydown = -ydelta + yup = ydelta + call sm_defvar ('y_gutter','0.0') + call sm_window (1,2,1,2,1,2) + call sm_limits (xlo,xhi,ydown,yup) + call findtic (ydown,yup,bigytic,smlytic) + call sm_ticksize (smlxtic,bigxtic,smlytic,bigytic) + call sm_lweight (4.0) + call sm_expand (1.2) + call defcolor (1) + call sm_box (0,0,0,0) + call sm_lweight (2.0) + call sm_expand (0.8) + call sm_box (4,2,4,4) + array = 'Obs - Comp' + call sm_ylabel (array) + call sm_relocate (xlo,0.0) + call sm_draw (xhi,0.0) + endif + + +c plot the array of deviations + if (choice.eq.'h' .or. choice.eq.'f' .or. + . choice.eq.'g') then + call defcolor (8) + call sm_ltype (j-1) + else + if (smterm(1:3) .eq. 'x11') then + call defcolor (j+1) + call sm_ltype (0) + else + call defcolor (1) + call sm_ltype (j-1) + endif + endif + call defcolor (j+1) + call sm_lweight (2.2) + call sm_connect (xobs(lim1obs),dev(lim1obs),mount) + write (array,1021) devsigma + call sm_relocate(xhi-0.2*(xhi-xlo), + . ydown+(0.10+0.06*j)*(yup-ydown)) + call sm_relocate(xhi-0.24*(xhi-xlo), + . ydown+(0.10+0.06*j)*(yup-ydown)) + call sm_draw(xhi-0.215*(xhi-xlo), + . ydown+(0.10+0.06*j)*(yup-ydown)) + call sm_label (array) + if (choice .eq. 'g') then + noff = 80*(j-1) + write (nf6out,3002) abitle(noff+1:noff+80) + write (nf6out,3003) devsigma, velsh + endif + enddo + close (unit=222) + + +c reset the spectrum plot boundaries before exiting + if(xlo .lt. xhi) then + call sm_limits (xlo,xhi,ylo,yhi) + iflip = 0 + else + call sm_limits (xhi,xlo,ylo,yhi) + iflip = 1 + endif +1000 return + + +c*****format statements +1021 format ('sigma =',f7.4) +3001 format (/'RUN NUMBER:', i4, 65('-')) +3002 format (a80) +3003 format ('sigma =',f8.5, ' lambda shift =',f7.3,' km/s') + + + end + + + diff --git a/Stats.f b/Stats.f new file mode 100755 index 0000000..c64a8b8 --- /dev/null +++ b/Stats.f @@ -0,0 +1,103 @@ + + subroutine stats +c****************************************************************************** +c This routine does abundance statistics for a single species +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + +c*****compute the average and standard deviation + average = 0. + kount = 0 + do l=lim1obs,lim2obs + if (abundout(l) .ne. 999.99) then + average = average + abundout(l) + kount = kount + 1 + endif + enddo + if (kount .gt. 0) then + average = average/kount + endif + deviate = 0. + if (kount .gt. 1) then + do l=lim1obs,lim2obs + if (abundout(l) .ne. 999.99) then + deviate = deviate + (abundout(l)-average)**2 + endif + enddo + deviate = dsqrt(deviate/(kount-1)) + endif + + +c*****correlate the abundances with excitation potential, equivalent width, +c and wavelength + if (kount .gt. 2) then + epmin = 999. + epmax = -999. + rwmin = 999. + rwmax = -999. + wvmin = 999999. + wvmax = -999999. + x1 = 0. + x2 = 0. + x3 = 0. + x4 = 0. + x5 = 0. + x6 = 0. + y1 = 0. + y2 = 0. + xy = 0. + yz = 0. + za = 0. + + do l=lim1obs,lim2obs + if (abundout(l) .ne. 999.99) then +c rw = dlog10(wid1comp(l)/wave1(l)) + rw = dlog10(width(l)/wave1(l)) + x1 = x1 + e(l,1) + x2 = x2 + e(l,1)**2 + x3 = x3 + rw + x4 = x4 + rw**2 + x5 = x5 + wave1(l) + x6 = x6 + wave1(l)**2 + y1 = y1 + abundout(l) + y2 = y2 + abundout(l)**2 + xy = xy + e(l,1)*abundout(l) + yz = yz + rw*abundout(l) + za = za + wave1(l)*abundout(l) + if (e(l,1) .lt. epmin) epmin = e(l,1) + if (e(l,1) .gt. epmax) epmax = e(l,1) + if (rw .lt. rwmin) rwmin = rw + if (rw .gt. rwmax) rwmax = rw + if (wave1(l) .lt. wvmin) wvmin = wave1(l) + if (wave1(l) .gt. wvmax) wvmax = wave1(l) + endif + enddo + + xxm1 = (kount*xy - x1*y1)/(kount*x2 - x1**2) + xxb1 = (y1*x2 - xy*x1)/(kount*x2 - x1**2) + xxr1 = (kount*xy - x1*y1)/dsqrt((kount*x2 - x1**2)* + . (kount*y2 - y1**2)) + deltaep = epmax - epmin + + xxm2 = (kount*yz - x3*y1)/(kount*x4 - x3**2) + xxb2 = (y1*x4 - yz*x3)/(kount*x4 - x3**2) + xxr2 = (kount*yz - x3*y1)/dsqrt((kount*x4 - x3**2)* + . (kount*y2 - y1**2)) + deltarw = rwmax - rwmin + + xxm3 = (kount*za - x5*y1)/(kount*x6 - x5**2) + xxb3 = (y1*x6 - za*x5)/(kount*x6 - x5**2) + xxr3 = (kount*za - x5*y1)/dsqrt((kount*x6 - x5**2)* + . (kount*y2 - y1**2)) + deltawv = wvmax - wvmin + + endif + + return + end + + diff --git a/Sunder.f b/Sunder.f new file mode 100755 index 0000000..8bf956b --- /dev/null +++ b/Sunder.f @@ -0,0 +1,24 @@ + + subroutine sunder (amol,i1,i2) +c****************************************************************************** +c This routine breaks up molecule amol into leftmost atom i1 and +c the rest of the molecule i2 +c****************************************************************************** + + implicit real*8 (a-h,o-z) + dimension itest(5) + data itest/100000000,1000000,10000,100,1/ + + im = nint(amol) + + do i=1,5 + i1 = im/itest(i) + if (i1 .eq. 0) cycle + i2 = im - i1*itest(i) + exit + enddo + + return + + end + diff --git a/Synpop.f b/Synpop.f new file mode 100755 index 0000000..7d07ff7 --- /dev/null +++ b/Synpop.f @@ -0,0 +1,304 @@ + + subroutine synpop +c****************************************************************************** +c Synthetic spectrum routine for stellar populations; usually meant for +c integrated light spectra. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Quants.com' + include 'Linex.com' + include 'Factor.com' + include 'Mol.com' + include 'Pstuff.com' + include 'Multimod.com' + real*8 tempspec(5,10000), rspec(10000) + character*80 holdline(5,30) + character*80 line + + +c*****read the parameter file + call params + + +c*****open the model table input file and the summary table output file; +c read the information from the table input file + call tablepop (2) + + +c*****open the standard output file +60 nf1out = 20 + lscreen = 8 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + + +c*****FIRST PASS: For each model, compute a raw synthetic spectrum; +c*****the starting do/if loops are for isotopic things only + xhyd = 10.0**xsolar(1) + do mmod=1,modtot + if (numiso .gt. 0) then + if (nisos .gt. 0) then + do k=1,numiso + do l=1,nisos + if (isotope(k) .eq. isospecial(l)) then + do m=1,numisosyn + isoabund(k,m) = fracspecial(mmod,l) + enddo + endif + enddo + enddo + endif + endif + + +c*****read in the model atmospheres and their summary output files + line = synpre + num = 80 + call getcount (num,line) + if (mmod .lt. 10) then + write (line(num+1:num+1),1013) mmod + else + write (line(num+1:num+2),1014) mmod + endif + nf2out = 21 + fmodoutput(mmod) = line + f2out = fmodoutput(mmod) + lscreen = 12 + array = 'INDIVIDUAL MODEL RAW SYNTHESIS OUTPUT' + nchars = 37 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + line = modpre + num = 80 + call getcount (num,line) + if (mmod .lt. 10) then + write (line(num+1:num+1),1013) mmod + else + write (line(num+1:num+2),1014) mmod + endif + nfmodel = 30 + fmodinput(mmod) = line + fmodel = fmodinput(mmod) + lscreen = 14 + array = 'INDIVIDUAL MODEL ATMOSPHERE' + nchars = 27 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + write (nf2out,1001) moditle + + +c*****change the "default" abundances to be the ones read from the table file + do i=1,nabs + iabund = nint(elspecial(i)) + xabu(iabund) = 10.**abspecial(mmod,i)/xhyd + enddo + + +c*****open the line list file and the strong line list file + nflines = 31 + lscreen = 16 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + if (dostrong .gt. 0) then + nfslines = 32 + lscreen = 18 + array = 'THE STRONG LINE LIST' + nchars = 20 + call infile ('input ',nfslines,'formatted ',0,nchars, + . fslines,lscreen) + endif + + +c*****do the syntheses + ncall = 1 + if (numpecatom .eq. 0 .or. numatomsyn .eq. 0) then + isorun = 1 + nlines = 0 + mode = 3 + call inlines (1) + call eqlib + call nearly (1) + call synspec + else + do n=1,numatomsyn + isynth = n + isorun = n + start = oldstart + sstop = oldstop + mode = 3 + call inlines (1) + call eqlib + call nearly (1) + call synspec + linprintopt = 0 + enddo + endif + fluxmod(mmod,1) = flux + call finish (0) + enddo + + +c*****clear the mean spectrum array and the information array + do i=1,5 + do j=1,10000 + tempspec(i,j) = 0. + enddo + enddo + do i=1,5 + do j=1,30 + write (holdline(i,j),1008) + enddo + enddo + + +c*****open the file where the mean raw spectrum will be written + nf9out = 23 + lscreen = 10 + array = 'MEAN RAW SYNTHESIS OUTPUT' + nchars = 25 + call infile ('output ',nf9out,'formatted ',0,nchars, + . f9out,lscreen) + + +c*****compute normalized weights + weighttot = 0. + do mmod=1,modtot + weightmod(mmod,1) = fluxmod(mmod,1)*radius(mmod)**2* + . relcount(mmod) + weighttot = weighttot + weightmod(mmod,1) + enddo + do mmod=1,modtot + weightmod(mmod,1) = weightmod(mmod,1)/weighttot + enddo + + +c*****read back the syntheses, compute the weighted average + do mmod=1,modtot + newunit = 26 + open (newunit,file=fmodoutput(mmod)) + read (newunit,1001) line + do j=1,numatomsyn + lincount = 0 +50 read (newunit,1001) line + lincount = lincount + 1 + if (mmod .eq. 1) write (holdline(j,lincount),1001) line + if (line(1:5) .eq. 'MODEL') then + read (newunit,1001) line + lincount = lincount + 1 + if (mmod .eq. 1) write (holdline(j,lincount),1001) line + read (line,*) wavemod1, wavemod2, wavestep + nw1 = nint(1000.*wavemod1) + nw2 = nint(1000.*wavemod2) + nws = nint(1000.*wavestep) + nnn = (nw2-nw1)/nws + 1 + read (newunit,*) (rspec(n),n=1,nnn) + do n=1,nnn + tempspec(j,n) = tempspec(j,n) + weightmod(mmod,1)* + . rspec(n) + enddo + else + go to 50 + endif + enddo + close (unit=newunit) + enddo + + +c write the average spectrum back to disk. + line(1:7) = 'MODEL: ' + line(8:80) = popitle(1:73) + do j=1,numatomsyn + holdline(j,lincount-1) = line + write (nf9out,1001) (holdline(j,l),l=1,lincount) + write (nf9out,1003) (tempspec(j,n),n=1,nnn) + enddo + close (unit=nf9out) + + +c*****now plot the spectrum + if (plotopt.eq.2 .and. specfileopt.gt.0) then + nfobs = 33 + lscreen = 12 + array = 'THE OBSERVED SPECTRUM' + nchars = 21 + if (specfileopt.eq.1 .or. specfileopt.eq.3) then + call infile ('input ',nfobs,'unformatted',2880,nchars, + . fobs,lscreen) + else + call infile ('input ',nfobs,'formatted ',0,nchars, + . fobs,lscreen) + endif + endif + if (plotopt .ne. 0) then + nf2out = nf9out + f2out = f9out + nf2out = 21 + lscreen = lscreen + 2 + array = 'RAW SYNTHESIS OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + nf3out = 22 + lscreen = lscreen + 2 + array = 'SMOOTHED SYNTHESES OUTPUT' + nchars = 25 + call infile ('output ',nf3out,'formatted ',0,nchars, + . f3out,lscreen) + if (f5out .ne. 'optional_output_file') then + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + endif + if (plotopt .eq. 3) then + call smooth (-1,ncall) + choice = 'q' + else + call pltspec (lscreen,ncall) + endif + + +c*****if needed, loop back with abundance changes + if (choice .eq. 'n') then + call chabund + if (choice .eq. 'q') go to 60 + endif + endif + + +c*****format statements +1001 format (a80) +1002 format ('POPULATION SYNTHESIS FOR INTEGRATED-LIGHT SPECTRA'/a80) +1003 format (10f7.4) +1004 format (a30, 2x, a10, 3f8.0) +1005 format ('#models =', i3, 5x, 'total weight =', f7.2// + . ('model#', i5, 5x, 'relative weight', f8.2)) +1006 format (i3, 1x, f8.0, 2f8.2, 10f6.2) +1008 format (80(' ')) +1009 format ('SPECIAL ELEMENTS OR NAMES OF ISOTOPES'/(10i8)) +1010 format ('NO DECLARED SPECIAL ELEMENTS') +1011 format ('SPECIAL ISOTOPE NAMES'/((5f10.5))) +1012 format ('NO DECLARED SPECIAL ISOTOPES') +1013 format (i1) +1014 format (i2) +1015 format (6f13.5) + + + end + + + + + + + + diff --git a/Synspec.f b/Synspec.f new file mode 100755 index 0000000..6fbe5d7 --- /dev/null +++ b/Synspec.f @@ -0,0 +1,182 @@ + + subroutine synspec +c****************************************************************************** +c This routine does synthetic spectra +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Factor.com' + include 'Pstuff.com' + include 'Dummy.com' + real*8 dd(5000) + +c*****initialize the synthesis + write (nf1out,1101) + write (nf2out,1002) moditle(1:73) + if (iunits .eq. 1) then + write (nf2out,1103) start/1.d4, sstop/1.d4, + . step/1.d4, delta/1.d4 + else + write (nf2out,1102) start,sstop,step,delta + endif + if (iraf .eq. 1) then + npoint = (sstop-start)/step + write (nf4out,1104) npoint,wave,wave,step,step + write (nf4out,1105) + write (nf4out,1106) moditle + do j=1,93 + if (pec(j) .gt. 0 ) then + dummy1(j) = dlog10(xabund(j)) + 12.0 + write (nf4out,1107) names(j),dummy1(j) + endif + enddo + write (nf4out,1108) vturb(1) + write (nf4out,1109) + endif + if (mode .ne. 4) then + lim1line = 0 + lim2line = 0 + lim1obs = 0 + lim2obs = 0 + lim1 = 0 + lim2 = 0 + endif + + +c*****now step in wavelength as the spectrum is computed + kount = nint((sstop - start + (step/4.0) )/step) + 1 + num = 0 + wavl = 0. + + +c*****first calculate or recalculated continuum quantities at the +c spectrum wavelength, if needed + do n=1,kount + num = num + 1 + wave = oldstart + (n-1)*step + if (dabs(wave-wavl)/wave .ge. 0.001) then + wavl = wave + call opacit (2,wave) + if (modprintopt .ge. 2) + . write (nf1out,1001) wave,(kaplam(i),i=1,ntau) + call cdcalc (1) + first = 0.4343*cd(1) + flux = rinteg(xref,cd,dummy1,ntau,first) + if (iunits .eq. 1) then + write (nf1out,1003) 1.d-4*wave,flux + else + write (nf1out,1004) wave,flux + endif + endif + + +c*****find the appropriate set of lines for this wavelength, reading +c in a new set if this is the initial depth calculation or if +c needed because the line list end has been reached + if (mode .eq. 3) then +20 call linlimit + if (lim2line .lt. 0) then + call inlines (2) + call nearly (1) + go to 20 + endif + lim1 = lim1line + lim2 = lim2line + endif + + +c*****compute a spectrum depth at this point; if there are no absorption +c lines in the interval then just set the depth to zero without +c extensive line calculations + if (lineflag .lt. 0) then + d(num) = 0. + else + call taukap + call cdcalc (2) + first = 0.4343*cd(1) + d(num) = rinteg(xref,cd,dummy1,ntau,first) + endif + if (mod(n,10) .eq. 0) then + if (iraf .eq. 1) then + do j = 1,10 + dd(num-10+j) = 1. - d(num-10+j) + enddo + write (nf4out,1110) (dd(num-10+j),j=1,10) + endif + if (iunits .eq. 1) then + wave3 = 1.d-4*(wave - 9.0*step) + write (nf1out,1112) wave3,(d(num-10+j),j=1,10) + else + wave3 = wave - 9.0*step + write (nf1out,1111) wave3,(d(num-10+j),j=1,10) + endif + if (nf2out .gt. 0) write (nf2out,1110) (d(num-10+j),j=1,10) + endif + if (num .ge. 5000) num = 0 + enddo + + +c*****finish the synthesis + nn = mod(num,10) + if (nn .ne. 0) then + if (iraf .eq. 1) then + do j=1,nn + dd(num-nn+j) = 1. - d(num-nn+j) + enddo + write (nf4out,1110) (dd(num-nn+j),j=1,nn) + endif + if (iunits .eq. 1) then + wave3 = 1.d-4*(wave - 9.0*step) + write (nf1out,1112) wave3,(d(num-nn+j),j=1,nn) + else + wave3 = wave - 9.0*step + write (nf1out,1111) wave3,(d(num-nn+j),j=1,nn) + endif + if (nf2out .gt. 0) write (nf2out,1110) (d(num-nn+j),j=1,nn) + endif + if (iunits .eq. 1) then + write (nf1out,1113) 1.d-4*wave + else + write (nf1out,1114) wave + endif + + +c*****exit normally + return + + +c*****format statements +1001 format (' kaplam from 1 to ntau at wavelength',f10.2/ + . (6(1pd12.4))) +1002 format ('MODEL: ',a73) +1003 format ('AT WAVELENGTH/FREQUENCY =',f11.7, + . ' CONTINUUM FLUX/INTENSITY =',1p,d12.5) +1004 format ('AT WAVELENGTH/FREQUENCY =',f11.3, + . ' CONTINUUM FLUX/INTENSITY =',1p,d12.5) +1101 format (/'SPECTRUM DEPTHS') +1102 format (4f11.3) +1103 format (4f10.7) +1104 format ('SIMPLE = T / Fits standard'/ + . 'NAXIS = 1'/'NAXIS1 = ',i10,/ + . 'W0 =',f10.4/'CRVAL1 =',f10.4/'WPC =',f10.4/ + . 'CDELT1 =',f10.4) +1105 format (16HORIGIN = 'moog'/21HDATA-TYP= 'synthetic'/ + . 18HCTYPE1 = 'lambda'/21HCUNIT1 = 'angstroms') +1106 format (11HTITLE = ',A65,1H') +1107 format ('ATOM = ',1H',7x,a2,1H',/,'ABUND = ',f10.2) +1108 format ('VTURB = ',d10.4,' / cm/sec ') +1109 format ('END') +1110 format (10f7.4) +1111 format (f10.3,': depths=',10f6.3) +1112 format (f10.7,': depths=',10f6.3) +1113 format ('FINAL WAVELENGTH/FREQUENCY =',f10.7/) +1114 format ('FINAL WAVELENGTH/FREQUENCY =',f10.3/) + + + end + + + + diff --git a/Synth.f b/Synth.f new file mode 100755 index 0000000..b6b9712 --- /dev/null +++ b/Synth.f @@ -0,0 +1,153 @@ + + subroutine synth +c****************************************************************************** +c This program synthesizes a section of spectrum and compares it +c to an observation file. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Factor.com' + include 'Mol.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Dummy.com' + + +c*****examine the parameter file + call params + + +c*****open the files for: standard output, raw spectrum depths, smoothed +c spectra, and (if desired) IRAF-style smoothed spectra + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf2out = 21 + lscreen = lscreen + 2 + array = 'RAW SYNTHESIS OUTPUT' + nchars = 20 + call infile ('output ',nf2out,'formatted ',0,nchars, + . f2out,lscreen) + if (plotopt .ne. 0) then + nf3out = 22 + lscreen = lscreen + 2 + array = 'SMOOTHED SYNTHESES OUTPUT' + nchars = 25 + call infile ('output ',nf3out,'formatted ',0,nchars, + . f3out,lscreen) + if (f5out .ne. 'optional_output_file') then + nf5out = 26 + lscreen = lscreen + 2 + array = 'POSTSCRIPT PLOT OUTPUT' + nchars = 22 + call infile ('output ',nf5out,'formatted ',0,nchars, + . f5out,lscreen) + endif + endif + if (iraf .ne. 0) then + nf4out = 23 + lscreen = lscreen + 2 + array = 'IRAF ("rtext") OUTPUT' + nchars = 24 + call infile ('output ',nf4out,'formatted ',0,nchars, + . f4out,lscreen) + endif + + +c*****open and read the model atmosphere file + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + + +c*****open the line list file and the strong line list file + nflines = 31 + lscreen = lscreen + 2 + array = 'THE LINE LIST' + nchars = 13 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + if (dostrong .gt. 0) then + nfslines = 32 + lscreen = lscreen + 2 + array = 'THE STRONG LINE LIST' + nchars = 20 + call infile ('input ',nfslines,'formatted ',0,nchars, + . fslines,lscreen) + endif + + +c*****do the syntheses + choice = '1' + do i=1,100 + if (i .eq. 100) then + write (*,1002) + stop + endif + ncall = 1 + call getsyns (lscreen,ncall) + + +c*****now either don't make a plot (plotopt = 0) +c plot the synthetic spectrum, (plotopt = 1) +c plot syntheses and observation (plotopt = 2) +c or just smooth the syntheses (plotopt = 3) + if (choice .eq. 'n') then + ncall = 2 + else + ncall = 1 + endif + if (plotopt .eq. 0) then + choice = 'q' + elseif (plotopt .eq. 1) then + call pltspec (lscreen,ncall) + elseif (plotopt .eq. 2) then + nfobs = 33 + lscreen = lscreen + 2 + array = 'THE OBSERVED SPECTRUM' + nchars = 21 + if (specfileopt .eq. 1) then + call infile ('input ',nfobs,'unformatted',2880,nchars, + . fobs,lscreen) + else + call infile ('input ',nfobs,'formatted ',0,nchars, + . fobs,lscreen) + endif + call pltspec (lscreen,ncall) + elseif (plotopt .eq. 3) then + call smooth (-1,ncall) + choice = 'q' + else + write (*,1001) + stop + endif + if (choice .eq. 'q') then + call finish (0) + exit + endif + enddo + + + +c*****format statements +1001 format ('for syntheses, parameter "plot" must be 0, 1, 2, or 3;', + . ' I QUIT!') +1002 format ('something wrong: max number (99) of synthesis ', + . 'cycles exceeded; I QUIT!') + + + + end + + + + + diff --git a/Tablepop.f b/Tablepop.f new file mode 100755 index 0000000..de5be03 --- /dev/null +++ b/Tablepop.f @@ -0,0 +1,171 @@ + + subroutine tablepop (option) +c****************************************************************************** +c this routine opens the table file containing information for a stellar +c population, and reads the data in that file; the information is a +c bit different for "abpop" and "synpop" +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Multimod.com' + include 'Pstuff.com' + integer option + character*80 line + + +c*****open the model table input file and the summary table output file + nftable = 18 + lscreen = 4 + array = 'MODEL TABLE INPUT FILE' + nchars = 22 + call infile ('input ',nftable,'formatted ',0,nchars, + . ftable,lscreen) + nf7out = 24 + lscreen = 6 + array = 'MODEL TABLE OUTPUT FILE' + nchars = 18 + call infile ('output ',nf7out,'formatted ',0,nchars, + . f7out,lscreen) + + +c*****read the table input for integrated light EW matching + if (option .eq. 1) then + read (nftable,1001) line + if (line(1:5) .ne. 'abpop' ) then + write(*,*) 'OOPS! WRONG TABLE FOR ABPOP; I QUIT!' + stop + endif + do i=1,1000 + read (nftable,1001) line + if (line(1:5) .eq. 'modpr') then + call blankstring (modpre) + modpre(1:70) = line(11:80) + elseif (line(1:5) .eq. 'synpr') then + call blankstring (synpre) + synpre(1:70) = line(11:80) + elseif (line(1:5) .eq. 'title') then + call blankstring (abitle) + popitle(1:74) = line(7:80) + write (nf7out,1002) popitle(1:73) + elseif (line(1:5) .eq. 'model') then + do mmod=1,100 + if (mmod .eq. 100) then + write(*,*) 'MORE THAN 99 MODELS; I QUIT!' + stop + endif + read (nftable,*,end=10) j, radius(mmod), + . relcount(mmod) + enddo + endif + enddo + + +c*****read the table input for integrated light spectrum syntheses + else + nabs = 0 + nisos = 0 + read (nftable,1001) line(1:80) + if (line(1:6) .ne. 'synpop') then + write (*,*) 'OOPS! WRONG TABLE FOR SYNPOP; I QUIT!' + stop + endif + do k=1,1000 + call blankstring (line) + read (nftable,1001) line(1:80) + if (line(1:5) .eq. 'modpr') then + call blankstring (modpre) + modpre(1:70) = line(11:80) + elseif (line(1:5) .eq. 'synpr') then + call blankstring (synpre) + synpre(1:70) = line(11:80) + elseif (line(1:5) .eq. 'title') then + call blankstring (popitle) + popitle(1:74) = line(7:80) + write (nf7out,1003) popitle(1:74) + elseif (line(1:5) .eq. 'abund') then + read (line(12:80),*) nabs + if (nabs .gt. 0) then + read (nftable,1001) line(1:80) + read (line(1:80),*) (elspecial(i),i=1,nabs) + write (nf7out,1009) (nint(elspecial(i)),i=1,nabs) + else + write (nf7out,1010) + endif + elseif (line(1:5) .eq. 'isoto') then + read (line(10:80),*) nisos + if (nisos .gt. 0) then + read (nftable,1001) line(1:80) + read (line(1:80),*) (isospecial(i),i=1,nisos) + write (nf7out,1011) (isospecial(i),i=1,nisos) + else + write (nf7out,1012) + endif + elseif (line(1:5) .eq. 'model') then + do mmod=1,100 + if (mmod .eq. 100) then + write (*,*) 'MORE THAN 99 MODELS; I QUIT!' + stop + endif + if (nabs.le.0 .and. nisos.le.0) then + read (nftable,*,end=10) j, radius(mmod), + . relcount(mmod) + write (nf7out,1006) j, radius(mmod), + . relcount(mmod) + elseif (nabs.gt.0 .and. nisos.le.0) then + read (nftable,*,end=10) j, radius(mmod), + . relcount(mmod), + . (abspecial(mmod,i),i=1,nabs) + write (nf7out,1006) j, radius(mmod), + . relcount(mmod), + . (abspecial(mmod,i),i=1,nabs) + elseif (nabs.le.0 .and. nisos.gt.0) then + read (nftable,*,end=10) j, radius(mmod), + . relcount(mmod), + . (fracspecial(mmod,i),i=1,nisos) + write (nf7out,1006) j, radius(mmod), relcount(mmod) + write (nf7out,1015) (fracspecial(mmod,i),i=1,nisos) + else + read (nftable,*,end=10) j, radius(mmod), + . relcount(mmod), + . (abspecial(mmod,i),i=1,nabs), + . (fracspecial(mmod,i),i=1,nisos) + write (nf7out,1006) j, radius(mmod), + . relcount(mmod), + . (abspecial(mmod,i),i=1,nabs) + write (nf7out,1015) (fracspecial(mmod,i),i=1,nisos) + endif + enddo + endif + enddo + endif + + +c*****close the model input file, exit normally + 10 close (unit=nftable) + modtot = mmod-1 + return + + +c*****format statements +1001 format (a80) +1002 format ('EQUIVALENT WIDTH ANALYSIS FOR INTEGRATED-LIGHT SPECTRA'// + . a80) +1003 format ('POPULATION SYNTHESIS FOR INTEGRATED-LIGHT SPECTRA'/a80) +1006 format (i3, 1x, f8.0, 2f8.2, 10f6.2) +1009 format ('SPECIAL ELEMENTS OR NAMES OF ISOTOPES'/(10i8)) +1010 format ('NO DECLARED SPECIAL ELEMENTS') +1011 format ('SPECIAL ISOTOPE NAMES'/((5f10.5))) +1012 format ('NO DECLARED SPECIAL ISOTOPES') +1015 format (6f13.5) + + + end + + + + + + + + diff --git a/Taukap.f b/Taukap.f new file mode 100755 index 0000000..12f2c61 --- /dev/null +++ b/Taukap.f @@ -0,0 +1,48 @@ + + subroutine taukap +c****************************************************************************** +c This routine calculates the line absorption coefficient and the line +c opacity at wavelength *wave* for all lines in the spectrum +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Dummy.com' + + +c*****compute the total line opacity at each depth + do i=1,ntau + kapnu(i) = 0.0 + do j=lim1,lim2 + v = 2.997929d10*dabs(wave-wave1(j))/ + . (wave1(j)*dopp(j,i)) + kapnu(i) = kapnu(i) + kapnu0(j,i)*voigt(a(j,i),v) + enddo + + dummy1(i) = tauref(i)*kapnu(i)/(0.4343*kapref(i)) + +c*****do the same for the strong lines + if (dostrong .gt. 0) then + do j=nlines+1,nlines+nstrong + v = 2.997929d10*dabs(wave-wave1(j))/ + . (wave1(j)*dopp(j,i)) + kapnu(i) = kapnu(i) + kapnu0(j,i)*voigt(a(j,i),v) + enddo + endif + + dummy1(i) = tauref(i)*kapnu(i)/(0.4343*kapref(i)) + enddo + +c*****compute the optical depths + first = tauref(1)*kapnu(1)/kapref(1) + dummy1(1) = rinteg(xref,dummy1,taunu,ntau,0.) + taunu(1) = first + do i=2,ntau + taunu(i) = taunu(i-1) + taunu(i) + enddo + + + return + end + diff --git a/Total.f b/Total.f new file mode 100755 index 0000000..41394ad --- /dev/null +++ b/Total.f @@ -0,0 +1,63 @@ + + subroutine total +c****************************************************************************** +c This routine integrates to get an equivalent width. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Dummy.com' + real*8 waveint(5000), depthint(5000) + equivalence (waveint,dummy3), (depthint,dummy4) + + +c*****compute the wavelength array + ntotal = (sstop - start)/step + 1.3 + if (ntotal .gt. 5000) then + write (nf1out,1002) ntotal + write (nf2out,1002) ntotal + return + endif + do i=1,ntotal + waveint(i) = start + step*(i-1) + enddo + + +c*****use the RINTEG routine to do an integration + answer = 1000.*rinteg(waveint,d,depthint,ntotal,0.) + write (nf1out,1001) answer, ntotal + write (nf2out,1001) answer, ntotal + w(ncurve) = answer/1000. + + +c*****Then recheck using Simpson's rule + ntot = ntotal + if(ntotal/2*2 - ntotal .eq. 0) ntot = ntotal - 1 + answer = d(1) + 4.*d(2) + d(ntot) + ntot = ntot - 2 + do i=3,ntot,2 + answer = answer + 2.*d(i) + 4.*d(i+1) + enddo + answer = 1000.*step/3.*answer + write (nf1out,1006) answer + write (nf2out,1006) answer + return + + +c*****format statements +1001 format (' equivalent width: ',f8.2,' mA.',5x, + . 5x,'number of points: ',i5) +1002 format (i7,' POINTS ARE TOO MANY FOR THE INTEGRATION') +1006 format(' Simpson rule check on equivalent width =',f8.2) + + + end + + + + + + + diff --git a/Trudamp.f b/Trudamp.f new file mode 100755 index 0000000..4ad869c --- /dev/null +++ b/Trudamp.f @@ -0,0 +1,166 @@ + + subroutine trudamp (linnum) +c************************************************************************* +c This routine calculates damping parameters for lines that have +c accurately known laboratory damping parameters +c THE USER IS WARNED THAT THESE FORMULAE ARE OLD AND NOT EASILY +c DEFENDED; THE BARKLEM NUMBERS ARE TO BE PREFERRED. +c************************************************************************* + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + + +c*****begin with some calculations leading to a c6 value ("unsold") + j = linnum + iwave = int(wave1(j)) + iatom10 = nint(10.*atom1(j)) + ich = nint(charge(j)) + unsold = dabs(1.61d-33*(13.5*charge(j)/(chi(j,ich) - + . e(j,1)))**2 - 1.61d-33*(13.5*charge(j)/ + . (chi(j,ich)-e(j,2)))**2) + + +c*****Ca II "IR triplet" lines at the Ca II K line at 3934 A + if (iatom.eq.201 .and. iwave.eq.3933) then + do i=1,ntau + gammaa = 1.45d+8 + gnature = gammaa + 0.5*1.5d-9*t(i)**(1/3)*numdens(1,1,i) + gvander = 1.6d-8 * (t(i)/5000.)**0.3 * numdens(1,1,i) + gstark = 3.0d-6 * ne(i) + gammadamp = anature + gvander + gstark + a(j,i) = gammadamp*wave1(j)*1.0e-8/(12.56636*dopp(j,i)) + write (nf1out,1001) gnature, gstark, gvander, + . gammadamp, a(j,i) + enddo + return + + +c*****Ca II "IR triplet" lines at 8498, 8542, and 8662 A + elseif (iatom10.eq.201 .and. + . (iwave.eq.8498.or. + . iwave.eq.8542.or. + . iwave.eq.8662)) then + write (nf1out,1000) + do i=1,ntau + nhe = xabund(2)*nhtot(i) + gnature = 1.5e+08 + gstark = 1.5e-06*ne(i)*(t(i)/5000.)**0.1666 + ghelium = 3.0e-09*nhe*(t(i)/5000.)**0.4 + ghydro = 1.0e-08*nhtot(i)*(t(i)/5000.)**0.4 + gammadamp = gnature/2. + gstark + ghelium + ghydro + a(j,i) = gammadamp*wave1(j)*1.0e-8/(12.56636*dopp(j,i)) + v1 = dsqrt(2.1175d8*t(i)*(1.0/amass(j)+1.008)) + gvander = 17.0*unsold**0.4*v1**0.6*nhtot(i) + avander = gvander*wave1(j)*1.0d-8/(12.56636*dopp(j,i)) + write (nf1out,1001) gnature, gstark, ghelium, ghydro, + . gammadamp, a(j,i), avander + enddo + return + + +c*****Ca I 6717 A + elseif (iatom10.eq.200 .and. iwave.eq.6717) then + write (nf1out,1002) iwave + do i=1,ntau + nhe = xabund(2)*nhtot(i) + gnature = 0.4e-08 + ghelium = 1.0e-09*nhe*(t(i)/5000.)**0.4 + ghydro = 2.0e-08*nhtot(i)*(t(i)/5000.)**0.4 + gammadamp = gnature/2. + ghelium + ghydro + gammadamp = gammadamp*2. + a(j,i) = gammadamp*wave1(j)*1.0e-8/(12.56636*dopp(j,i)) + v1 = dsqrt(2.1175d8*t(i)*(1.0/amass(j)+1.008)) + gvander = 17.0*unsold**0.4*v1**0.6*nhtot(i) + avander = gvander*wave1(j)*1.0d-8/(12.56636*dopp(j,i)) + write (nf1out,1001) gnature, ghelium, ghydro, + . gammadamp, a(j,i), avander + enddo + return + + +c*****Ca I 6318, 6343, 6361 A autoionization lines + elseif (iatom10.eq.200 .and. + . (iwave.eq.6318 .or. + . iwave.eq.6343 .or. + . iwave.eq.6361)) then + write (nf1out,1005) iwave + do i=1,ntau + if (dampnum(j) .eq. 0) then + gnature = 1.5d12 + else + gnature = dampnum(j)*1.5d12 + endif + gammadamp = gnature + a(j,i) = gammadamp*wave1(j)*1.0e-8/(12.56636*dopp(j,i)) + write (nf1out,1001) gnature, gammadamp, a(j,i) + enddo + return + + +c*****Na I lines + elseif (iatom .eq. 110) then + write (nf1out,1003) iwave + do i=1,ntau + gnature = 2.21e+15/wave1(j)**2 + v1 = dsqrt(2.1175d8*t(i)*(1.0/amass(j)+1.008)) + gvander = 17.0*unsold**0.4*v1**0.6*nhtot(i) + gcoll = gvander*2.1 + gammadamp = gnature/2. + gcoll + a(j,i) = gammadamp*wave1(j)*1.0e-8/(12.56636*dopp(j,i)) + avander = gvander*wave1(j)*1.0d-8/(12.56636*dopp(j,i)) + write (nf1out,1001) gnature, gcoll, gammadamp, + . a(j,i), avander + enddo + return + + +c*****CH autoionization line at 3693 A + elseif (iatom10.eq.1060 .and. + . iwave.eq.3693) then + write (nf1out,1006) iwave + do i=1,ntau + if (dampnum(j) .eq. 0) then + gnature = 4.0d11 + else + gnature = dampnum(j)*4.0d11 + endif + gammadamp = gnature + a(j,i) = gammadamp*wave1(j)*1.0e-8/(12.56636*dopp(j,i)) + write (nf1out,1001) gnature, gammadamp, a(j,i) + enddo + return + endif + + +c*****format statements +1000 format(//' LINE BROADENING PARAMETERS FOR ', + . 'CaII INFRARED TRIPLET'/ + . 4x,'natural',6x,'stark',5x,'helium',3x,'hydrogen', + . 6x,'gammadamp',5x,'a(j,i)',5x,'a(VdW)') +1001 format (1p7e11.3) +1002 format(//' LINE BROADENING PARAMETERS FOR ', + . 'CaI LINE AT',i6/ + . 4x,'natural',5x,'helium',3x,'hydrogen', + . 6x,'gammadamp',5x,'a(j,i)',5x,'a(VdW)') +1003 format(//' LINE BROADENING PARAMETERS FOR ', + . 'NaI LINE AT',i6/ + . 4x,'natural',4x,'VdW*1.2',6x,'gammadamp', + . 5x,'a(j,i)',5x,'a(VdW)') +1004 format(//' LINE BROADENING PARAMETERS FOR ', + . 'CaI LINE AT 6318A'/ + . 4x,'natural',6x,'Stark',4x,'vdwaals', + . 6x,'gammadamp',5x,'a(j,i)') +1005 format(//' LINE BROADENING PARAMETERS FOR ', + . 'THE CaI AUTOIONIZATION LINE AT',i6/ + . 4x,'natural', 2x,'gammadamp',5x,'a(j,i)') +1006 format(//' LINE BROADENING PARAMETERS FOR ', + . 'THE CH AUTOIONIZATION LINE AT',i6/ + . 4x,'natural', 2x,'gammadamp',5x,'a(j,i)') + + + end + + + + diff --git a/Ucalc.f b/Ucalc.f new file mode 100755 index 0000000..273290c --- /dev/null +++ b/Ucalc.f @@ -0,0 +1,60 @@ + + real*8 function ucalc (atom,level) +c****************************************************************************** +c This routine decodes the partition function data. the source +c is the atlas program of kurucz +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Quants.com' + dimension scale(4) + data scale/0.001,0.01,0.1,1.0/ + + if (level .gt. 500) then + temp = level + else + temp = t(level) + endif + + iatom = nint(atom) + ion = nint(10.*(atom - float(iatom))) + j = 4*(iatom-1) + ion + 1 + + if (ion .eq. 0) then + chix = xchi1(iatom) + elseif (ion .eq. 1) then + chix = xchi2(iatom) + else + chix = xchi3(iatom) + endif + + t2000 = chix*2000./11. + it = max0(1,min0(9,idint(temp/t2000-0.5))) + dt = temp/t2000 - float(it) - 0.5 + pmin = 1. + i = (it+1)/2 + k1 = nudata(i,j)/100000 + k2 = nudata(i,j) - k1*100000 + k3 = k2/10 + kscale = k2 - k3*10 + if (mod(it,2) .eq. 0) then + p1 = float(k3)*scale(kscale) + k1 = nudata(i+1,j)/100000 + kscale = mod(nudata(i+1,j),10) + p2 = float(k1)*scale(kscale) + else + p1 = float(k1)*scale(kscale) + p2 = float(k3)*scale(kscale) + if (dt .ge. 0.) go to 13 + if (kscale .gt. 1.) go to 13 + kp1 = p1 + if (kp1 .ne. idint(p2+0.5)) go to 13 + pmin = kp1 + endif +13 ucalc = dmax1(pmin,p1+(p2-p1)*dt) + + return + end + + diff --git a/Vargauss.f b/Vargauss.f new file mode 100755 index 0000000..199f67f --- /dev/null +++ b/Vargauss.f @@ -0,0 +1,220 @@ + + subroutine vargauss (line) +c****************************************************************************** +c This subroutine prepares synthesis data for plotting by smoothing +c the data with a Gaussian whose FWHM has been specified by the user +c at various wavelengths along the spectrum +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + include 'Equivs.com' + real*8 wavefwhm(100),fwhm(100) + character*80 fsmooth + data istart /0/ + + +c*****initialize parameters + write (abitle,1001) + nsyn = 1 + sigma = 0. + jrotdel = 0 + fsmooth = 'no_filename_given' + + +c*****on entering, rewind the unsmoothed and smoothed spectrum output +c files, and get the synthesis range parameters from the 'dump' file + rewind nf2out + rewind nf3out +55 read (nf2out,1002) moditle + if (moditle(1:15).eq.' element' .or. + . moditle(1:15).eq.' ALL abundances' .or. + . moditle(1:15).eq.'Isotope Ratio: ') go to 55 + read (nf2out,*) start, sstop, step + kount = nint((sstop - start + (step/4.0) )/step) + 1 + rewind nf2out + + +c*****the first time through, read in the Gaussian FWHM array + if (istart .eq. 0) then + istart = 1 + nfsmooth = 35 + array = 'SMOOTHING FWHM DATA' + nchars = 19 + call infile ('input ',nfsmooth,'formatted ',0,nchars, + . fsmooth,line) + j = 1 +39 read (nfsmooth,*,end=40) wavefwhm(j), fwhm(j) + j = j + 1 + if (j .le. 100) then + go to 39 + else + istat = ivcleof (line,1) + istat = ivmove (line-1,1) + write (*,*) 'ERROR: TOO MANY POINTS IN THE FWHM FILE!' + smtype = 'e' + return + endif +40 jtotfwhm = j - 1 + endif + + +c*****now read in the raw spectrum and flip to a depth scale +45 noff = 80*(nsyn-1) + abitle(noff+1:noff+12) = '[M/H] 0.00 ' + nabunds = 0 +41 read (nf2out,1002,end=2000) array + if (array(1:15).eq.' ALL abundances') then + abitle(noff+6:noff+10) = array(56:60) + go to 41 + elseif (array(1:15).eq.' element') then + nabunds = nabunds + 1 + if (nabunds .le. 7) then + ioff = noff + 12 + 9*(nabunds-1) + abitle(ioff+1:ioff+2) = array(17:18) + abitle(ioff+3:ioff+7) = array(34:38) + abitle(ioff+8:ioff+9) = ' ' + endif + go to 41 + elseif (array(1:15).eq.'Isotope Ratio: ') then + nabunds = nabunds + 1 + if (nabunds .le. 7) then + ioff = noff + 12 + 9*(nabunds-1) + abitle(ioff+1:ioff+4) = array(27:30) + abitle(ioff+5:ioff+5) = ' ' + do k=33,44 + if (array(k:k) .ne. ' ') then + abitle(ioff+6:ioff+8) = array(k:k+2) + go to 60 + endif + enddo +60 abitle(ioff+9:ioff+9) = ' ' + endif + go to 41 + endif + read (nf2out,1002,end=2000) + read (nf2out,1003,end=2000) (y(i),i=1,kount) + do i=1,kount + y(i) = 1.0 - y(i) + enddo + + +c*****go through the spectrum wavelengths step by step; the +c Gaussian smoothing will need to be different at each step + i = 0 + oldhalf = 0. +25 i = i + 1 + if (i .gt. kount) go to 90 + synstep = start + (i-1)*step + + +c*****interpolate linearly in the FWHM array to get the appropriate value +c for the current wavelength step + if (synstep .le. wavefwhm(1)) then + half = fwhm(1) + elseif (synstep .ge. wavefwhm(jtotfwhm)) then + half = fwhm(jtotfwhm) + else + do j=2,jtotfwhm + if (synstep .le. wavefwhm(j)) then + half = fwhm(j-1) + (synstep-wavefwhm(j-1))* + . (fwhm(j)-fwhm(j-1))/(wavefwhm(j)-wavefwhm(j-1)) + if (half .gt. 0.) then + go to 10 + else + go to 15 + endif + endif + enddo + endif + + +c*****compute the Gaussian smoothing function, if needed +10 if (dabs(half-oldhalf)/half .lt. 0.03) go to 50 + oldhalf = half + sigma = half/2 + aa = 0.6932/sigma**2 + power = 1.0 + do k=1,1000 + p(k) = dexp(-aa*(step*k)**2 ) + power = power + 2*p(k) + if (p(k) .lt. 0.05) then + jdel = k + min = jdel + 1 + max = kount - jdel + p0 = 1. + go to 50 + endif + enddo + istat = ivcleof (line,1) + istat = ivmove (line-1,1) + write (*,1023) sigma, (p(i),i=1,1000) + smtype = 'e' + return + + +c*****if no smoothing, just equate the smoothed to the unsmoothed point +15 z(i) = y(i) + go to 25 + + +c*****otherwise smooth the spectrum +50 if (i.lt.min .or. i.gt.max) then + z(i) = y(i) + else + z(i) = p0*y(i) + do k=1,jdel + z(i) = z(i) + p(k)*(y(i-k) + y(i+k)) + enddo + z(i) = z(i)/power + endif + go to 25 + + +c*****copy the smoothed spectrum to the appropriate array +90 do i=1,kount + chunk(i,nsyn) = z(i) + enddo + + +c*****compute the wavelength array; must be done for each synthetic +c spectrum because of the way the equivalences were set up + do i=1,kount + xsyn(i) = start + (i-1)*step + end do + + +c*****dump the smoothed spectrum in a MONGO-style set of +c (wavelength,flux) point pairs + write (nf3out,1005) kount, start, sstop, step + if (xsyn(1) .le. 100.0) then + write (nf3out,1009) (xsyn(i),z(i),i=1,kount) + else + write (nf3out,1008) (xsyn(i),z(i),i=1,kount) + endif + nsyn = nsyn + 1 + go to 45 + + +c*****exit the routine normally +2000 nsyn = nsyn - 1 + return + + +c*****format statements +1001 format (400(' ')) +1002 format (a80) +1003 format (10f7.4) +1005 format ('the number of points per synthesis = ',i5/ + . 'start = ',f10.3,5x,'stop = ',f10.3,5x,'step = ',f10.3) +1008 format (f10.3,' ',f10.5) +1009 format (f10.6,' ',f10.5) +1023 format ('ERROR: GAUSSIAN PROFILE TOO BIG! (HALF WIDTH=', + . f6.2,') THE PROFILE:'/(15f5.2)) + + end + + + diff --git a/Vmacro.f b/Vmacro.f new file mode 100755 index 0000000..20e745f --- /dev/null +++ b/Vmacro.f @@ -0,0 +1,102 @@ + + real*8 function vmacro (xprofile) +c****************************************************************************** +c This routine computes, by linear interpolation, a point along a +c radial-tangential macroturbulence profile. This routine was written by +c Suchitra Balachandran, and is based on the work of Gray 1992, in +c "The Obs. & Anal. of Stell. Phot", p. 409. These functions have +c been computed and included in the data arrays below: +c xrt = velocity / zeta_RT +c yrt = value at xrt +c The area under the function is normalized to unity +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*8 xrt(250), yrt(250) +c + data (xrt(l),l=1,171)/ + . 0.0001,0.0101,0.0201,0.0301,0.0401,0.0501,0.0601,0.0701,0.0801, + . 0.0901,0.1001,0.1101,0.1201,0.1301,0.1401,0.1501,0.1601,0.1701, + . 0.1801,0.1901,0.2001,0.2101,0.2201,0.2301,0.2401,0.2501,0.2601, + . 0.2701,0.2801,0.2901,0.3001,0.3101,0.3201,0.3301,0.3401,0.3501, + . 0.3601,0.3701,0.3801,0.3901,0.4001,0.4101,0.4201,0.4301,0.4401, + . 0.4501,0.4601,0.4701,0.4801,0.4901,0.5001,0.5101,0.5201,0.5301, + . 0.5401,0.5501,0.5601,0.5701,0.5801,0.5901,0.6001,0.6101,0.6201, + . 0.6301,0.6401,0.6501,0.6601,0.6701,0.6801,0.6901,0.7001,0.7101, + . 0.7201,0.7301,0.7401,0.7501,0.7601,0.7701,0.7801,0.7901,0.8001, + . 0.8101,0.8201,0.8301,0.8401,0.8501,0.8601,0.8701,0.8801,0.8901, + . 0.9001,0.9101,0.9201,0.9301,0.9401,0.9501,0.9601,0.9701,0.9801, + . 0.9901,1.0001,1.0101,1.0201,1.0301,1.0401,1.0501,1.0601,1.0701, + . 1.0801,1.0901,1.1001,1.1101,1.1201,1.1301,1.1401,1.1501,1.1601, + . 1.1701,1.1801,1.1901,1.2001,1.2101,1.2201,1.2301,1.2401,1.2501, + . 1.2601,1.2701,1.2801,1.2901,1.3001,1.3101,1.3201,1.3301,1.3401, + . 1.3501,1.3601,1.3701,1.3801,1.3901,1.4001,1.4101,1.4201,1.4301, + . 1.4401,1.4501,1.4601,1.4701,1.4801,1.4901,1.5001,1.5101,1.5201, + . 1.5301,1.5401,1.5501,1.5601,1.5701,1.5801,1.5901,1.6001,1.6101, + . 1.6201,1.6301,1.6401,1.6501,1.6601,1.6701,1.6801,1.6901,1.7001/ + data (xrt(l),l=172,250)/ + . 1.7101,1.7201,1.7301,1.7401,1.7501,1.7601,1.7701,1.7801,1.7901, + . 1.8001,1.8101,1.8201,1.8301,1.8401,1.8501,1.8601,1.8701,1.8801, + . 1.8901,1.9001,1.9101,1.9201,1.9301,1.9401,1.9501,1.9601,1.9701, + . 1.9801,1.9901,2.0001,2.0101,2.0201,2.0301,2.0401,2.0501,2.0601, + . 2.0701,2.0801,2.0901,2.1001,2.1101,2.1201,2.1301,2.1401,2.1501, + . 2.1601,2.1701,2.1801,2.1901,2.2001,2.2101,2.2201,2.2301,2.2401, + . 2.2501,2.2601,2.2701,2.2801,2.2901,2.3001,2.3101,2.3201,2.3301, + . 2.3401,2.3501,2.3601,2.3701,2.3801,2.3901,2.4001,2.4101,2.4201, + . 2.4301,2.4401,2.4501,2.4601,2.4701,2.4801,2.4901/ +c + data (yrt(l),l=1,133)/ + . 1.128380,1.126790,1.088790,1.069200,1.049990,1.031020,1.012720, + . 0.993719,0.975411,0.957327,0.939467,0.921830,0.904416,0.887224, + . 0.870264,0.853520,0.836978,0.820671,0.805960,0.788712,0.773060, + . 0.757624,0.742405,0.727394,0.712603,0.698026,0.683659,0.669504, + . 0.655559,0.641822,0.628292,0.614969,0.601851,0.588936,0.576224, + . 0.563713,0.551402,0.539288,0.527372,0.515651,0.504123,0.492788, + . 0.481644,0.470689,0.459921,0.449339,0.438813,0.428727,0.418693, + . 0.408839,0.399161,0.389660,0.382276,0.371177,0.362193,0.353376, + . 0.344727,0.336242,0.327921,0.319760,0.311759,0.303916,0.296228, + . 0.288693,0.281342,0.273786,0.266697,0.260087,0.253292,0.246640, + . 0.240128,0.233754,0.227516,0.221413,0.215442,0.209602,0.203891, + . 0.198305,0.192845,0.187508,0.182291,0.177193,0.172213,0.167347, + . 0.162595,0.157955,0.153423,0.149000,0.144683,0.140469,0.136358, + . 0.132347,0.128434,0.124619,0.120898,0.117271,0.113735,0.110289, + . 0.106931,0.103659,0.100472,0.097368,0.094346,0.091403,0.088538, + . 0.085750,0.083037,0.080397,0.077829,0.075331,0.072902,0.070540, + . 0.068244,0.066012,0.063844,0.061736,0.059689,0.057701,0.055770, + . 0.053895,0.052075,0.050308,0.048594,0.046930,0.045317,0.043751, + . 0.042233,0.040761,0.039334,0.037951,0.036611,0.035316,0.034058/ + data (yrt(l),l=134,250)/ + . 0.032839,0.031659,0.030516,0.029410,0.028339,0.027303,0.026300, + . 0.025330,0.024392,0.023484,0.022607,0.021759,0.020939,0.020147, + . 0.019382,0.018643,0.017928,0.017239,0.016573,0.015930,0.015309, + . 0.014711,0.014133,0.013576,0.013038,0.012520,0.012021,0.011539, + . 0.011075,0.010627,0.010196,0.009781,0.009381,0.008996,0.008626, + . 0.008269,0.007925,0.007595,0.007277,0.006972,0.006678,0.006395, + . 0.006123,0.005862,0.005611,0.005369,0.005138,0.004915,0.004701, + . 0.004496,0.004299,0.004110,0.003929,0.003755,0.003588,0.003428, + . 0.003274,0.003127,0.002986,0.002850,0.002721,0.002597,0.002478, + . 0.002364,0.002255,0.002151,0.002051,0.001955,0.001864,0.001776, + . 0.001692,0.001612,0.001536,0.001463,0.001393,0.001326,0.001262, + . 0.001201,0.001143,0.001087,0.001034,0.000984,0.000935,0.000889, + . 0.000845,0.000803,0.000763,0.000725,0.000689,0.000654,0.000621, + . 0.000590,0.000560,0.000531,0.000504,0.000478,0.000454,0.000430, + . 0.000408,0.000387,0.000366,0.000347,0.000329,0.000312,0.000295, + . 0.000280,0.000265,0.000251,0.000237,0.000224,0.000212,0.000201, + . 0.000190,0.000180,0.000170,0.000161,0.000152/ + + + if (xprofile.lt.xrt(1) .or. xprofile.ge.xrt(250)) then + vmacro = 0. + return + endif + + i = nint(100.*xprofile) + 1 + vmacro = (yrt(i+1)-yrt(i))*(xprofile-xrt(i))/(xrt(i+1)-xrt(i)) + . + yrt(i) + + + return + end + + + diff --git a/Voigt.f b/Voigt.f new file mode 100755 index 0000000..2c4ade3 --- /dev/null +++ b/Voigt.f @@ -0,0 +1,70 @@ + + real*8 function voigt(a,v) +c****************************************************************************** +c This routine calculates the voigt function using the approximations +c found in the *new series-astronomy and astrophysics* volume of +c landolt-bornstein. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + a2 = a*a + v2 = v*v + if(a .eq. 0.) go to 62 + if(a .le. 0.2) go to 50 + if(a.le.1.4 .and. a+v.le.3.2) go to 30 + + +c case 1, a .gt. 1.4 or (a .gt. 0.2 and a+v .gt. 3.2) + u = 1.4142136*(a2 + v2) + voigt = 0.7978847*a/u*(1.0 + (3.0*v2-a2)/u**2 + (15.0*v2*v2 + 1 -30.0*a2*v2+3.0*a2*a2)/u**4) + voigt = voigt/1.772454 + return +30 u=0.979895023-0.962846325*a+0.532770573*a2-0.122727278*a*a2 +31 h0 = dexp(-v2) + if(v .ge. 2.4) go to 35 + if(v .ge. 1.3) go to 33 + + +c case 2, 0.2 .lt. a .le. 1.4 and a+v .le. 3.2 + h1=-1.12470432-0.15516677*v+3.28867591*v2-2.34357915*v*v2 + 1 +0.42139162*v2*v2 + go to 36 +33 h1=-4.48480194+9.39456063*v-6.61487486*v2+1.98919585*v*v2 + 1 -0.2204165*v2*v2 + go to 36 +35 h1=(0.554153432+0.278711796*v-0.188325687*v2+0.042991293*v*v2 + 1 -0.003278278*v2*v2)/(v2 - 1.5) +36 h2 = (1.0 - 2.0*v2)*h0 + if(a .le. 0.2) go to 52 + h1 = h1 + 1.1283790*h0 + h2p = h2 + h2 = h2 - h0 + 1.1283790*h1 + h3 = 0.37612635*(1.0-h2p) - 0.6666667*v2*h1 + 1.1283790*h2 + h4 = 0.6666667*v2*v2*h0 - 0.37612635*h1 + 1.1283790*h3 + voigt = u*(h0 + h1*a + h2*a2 + h3*a*a2 + h4*a2*a2) + voigt = voigt/1.772454 + return + + +c case 3, a .le. 0.2 and v .lt. 5.0 +50 if(v .ge. 5.0) go to 60 + go to 31 +52 voigt = h0 + h1*a + h2*a2 + voigt = voigt/1.772454 + return + + +c case 4, a .le. 0.2 and v .ge. 5.0 +60 voigt = a/(1.772454*v2)*(1.0 + 1.5/v2 + 3.75/(v2*v2)) + voigt = voigt/1.772454 + return + + +c case 5, a .eq. 0.0 +62 voigt = exp(-v2)/1.772454 + + + return + end + diff --git a/Wavecalc.f b/Wavecalc.f new file mode 100755 index 0000000..238eaf7 --- /dev/null +++ b/Wavecalc.f @@ -0,0 +1,59 @@ + + real*8 function wavecalc(point,npt,c) +c****************************************************************************** +c this routine returns the wavelength of a given channel number +c****************************************************************************** + + implicit real*8 (a-h,o-z) + real*4 point + real*8 c(9) + + if (c(9) .eq. 1.) go to 20 + if (c(9) .eq. 2.) go to 40 + if (c(9) .eq. 3.) go to 30 + +c*****no wavelength solution exists + if (c(1).eq.0. .or. c(2).eq.0.) then + wavecalc = point + +c*****an ordinary polynomial solution + else + dn = point + wavecalc = c(1)+dn*(c(2)+dn*(c(3)+dn*(c(4)+ + . dn*(c(5)+dn*c(6))))) + endif + return + +c*****a Chebyshev polynomial solution +20 xpt = (2.*point-real(npt+1))/real(npt-1) + wavecalc = c(1) + + . c(2)*xpt + + . c(3)*(2.*xpt**2-1.) + + . c(4)*xpt*(4.*xpt**2-3.) + + . c(5)*(8.*xpt**4-8.*xpt**2+1.) + + . c(6)*xpt*(16.*xpt**4-20.*xpt**2+5.) + return + +c*****a spline3 solution +30 s = (point-1.)/(real(npt)-1.)*c(8) + j = int(s) + a = real(j+1) - s + b = s - real(j) + z0 = a**3 + z1 = 1. + 3.*a*(1.+a*b) + z2 = 1. + 3.*b*(1.+a*b) + z3 = b**3 + wavecalc = c(j+1)*z0 + c(j+2)*z1 + c(j+3)*z2 + c(j+4)*z3 + return + +c*****a Legendre polynomial solution +40 xpt = (2.*point-real(npt+1))/real(npt-1) + wavecalc = c(1) + c(2)*xpt + return + + + end + + + + diff --git a/Weedout.f b/Weedout.f new file mode 100755 index 0000000..5102819 --- /dev/null +++ b/Weedout.f @@ -0,0 +1,165 @@ + + subroutine weedout +c****************************************************************************** +c This routine goes through an initial line list and culls from it +c absorption lines that are not substantial contributors. This is +c done in a simple fashion by eliminating lines weaker than X, where +c X = kapnu/kaplam at the approximate line wavelength, calculated +c at a continuue optical depth of 0.5. The user will be prompted for +c the desired value of X. +c****************************************************************************** + + implicit real*8 (a-h,o-z) + include 'Atmos.com' + include 'Linex.com' + include 'Pstuff.com' + real*8 xratio + real*4 shortnum + + +c*****examine the parameter file + call params + + +c*****open the files for: standard output, lines to be kept, and lines +c to be heaved out + nf1out = 20 + lscreen = 4 + array = 'STANDARD OUTPUT' + nchars = 15 + call infile ('output ',nf1out,'formatted ',0,nchars, + . f1out,lscreen) + nf8out = 21 + lscreen = lscreen + 2 + array = 'KEPT LINES' + nchars = 10 + call infile ('output ',nf8out,'formatted ',0,nchars, + . f8out,lscreen) + nf9out = 22 + lscreen = lscreen + 2 + array = 'DISCARDED LINES' + nchars = 15 + call infile ('output ',nf9out,'formatted ',0,nchars, + . f9out,lscreen) + + +c*****open and read the model atmosphere file + nfmodel = 30 + lscreen = lscreen + 2 + array = 'THE MODEL ATMOSPHERE' + nchars = 20 + call infile ('input ',nfmodel,'formatted ',0,nchars, + . fmodel,lscreen) + call inmodel + call eqlib + + +c*****open the initial line list file + nflines = 31 + lscreen = lscreen + 2 + array = 'THE INITIAL LINE LIST' + nchars = 21 + call infile ('input ',nflines,'formatted ',0,nchars, + . flines,lscreen) + +c*****ask the user about the value of X + lscreen = lscreen + 2 + array = 'GIVE THE MINIMUM LINE/CONTINUUM OPACITY RATIO TO KEEP: ' + nchars = 55 + call getnum (nchars,lscreen,xratio,shortnum) + write (nf1out,1001) xratio + write (nf8out,1002) + write (nf9out,1003) + + +c*****compute the line opacities + call inlines (3) +1 call nearly (1) + + +c*****calculate continuum quantities at the line list wavelength middle + wave = (wave1(1)+wave1(nlines))/2. + call opacit (2,wave) + if (modprintopt .ge. 2) + . write(nf1out,1006) wave,(kaplam(i),i=1,ntau) + + +c*****divide the lines into keepers and discards + do j=1,nlines + residual = 10.*atom1(j) - dble(nint(10.*(atom1(j)))) + if (strength(j)/kaplam(jtau5) .ge. xratio) then + if (atom1(j) .lt. 100.) then + if (residual .gt. 0. .and. dampnum(j) .gt. 0.) then + write (nf8out,1007) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), dlog10(dampnum(j)), dlog10(strength(j)) + else if (residual .gt. 0. .and. dampnum(j) .le. 0.) then + write (nf8out,1007) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), 0.0, dlog10(strength(j)) + else if (residual .le. 0. .and. dampnum(j) .gt. 0.) then + write (nf8out,1004) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), dlog10(dampnum(j)), dlog10(strength(j)) + else + write (nf8out,1004) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), 0.0, dlog10(strength(j)) + endif + else + if (residual .gt. 0.) then + write (nf8out, 1008) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), d0(j), dlog10(strength(j)) + else + write (nf8out, 1005) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), d0(j), dlog10(strength(j)) + endif + endif + else + if (atom1(j) .lt. 100.) then + if (residual .gt. 0. .and. dampnum(j) .gt. 0.) then + write (nf9out,1007) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), dlog10(dampnum(j)), dlog10(strength(j)) + else if (residual .gt. 0. .and. dampnum(j) .le. 0.) then + write (nf9out,1007) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), 0.0, dlog10(strength(j)) + else if (residual .le. 0. .and. dampnum(j) .gt. 0.) then + write (nf9out,1004) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), dlog10(dampnum(j)), dlog10(strength(j)) + else + write (nf9out,1004) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), 0.0, dlog10(strength(j)) + endif + else + if (residual .gt. 0.) then + write (nf9out, 1008) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), d0(j), dlog10(strength(j)) + else + write (nf9out, 1005) wave1(j), atom1(j), e(j,1), + . dlog10(gf(j)), d0(j), dlog10(strength(j)) + endif + endif + endif + enddo + if (nlines +nstrong .eq. 2500) then + call inlines (6) + go to 1 + endif + + +c*****finish + call finish (0) + + +c*****format statements +1001 format (/'DESIRED LINE-TO-CONTINUUM MINIMUM OPACITY RATIO: ', + . 1pe10.2) +1002 format ('THIS IS THE KEEPER LINE LIST') +1003 format ('THIS IS THE DISCARDED LINE LIST') +1004 format (f10.4, f10.1, f10.3, f10.3, f10.3, 20x, f9.1) +1005 format (f10.4, f10.1, f10.3, f10.3, 10x, f10.3, 10x, f9.1) +1006 format (' kaplam from 1 to ntau at wavelength',f10.2/ + . (6(1pd12.4))) +1007 format (f10.4, f10.4, f10.3, f10.3, f10.3, 20x, f9.1) +1008 format (f10.4, f10.5, f10.3, f10.3, 10x, f10.3, 10x, f9.1) + + + end + + diff --git a/Writenumber.f b/Writenumber.f new file mode 100755 index 0000000..9ff3a30 --- /dev/null +++ b/Writenumber.f @@ -0,0 +1,35 @@ + + subroutine writenumber (xnum) +c****************************************************************************** +c This subroutine decides on the order-of-magnitude of a number and +c writes it to a character string in a reasonable format +c****************************************************************************** + + include 'Pstuff.com' + real*4 xnum, lognum + integer numdec + + + lognum = alog10(abs(xnum)) + if (lognum .ge. 6.) then + write (errmess,1002) + elseif (lognum .ge. 0.) then + numdec = 5 - nint(lognum) + write (errmess,1001) numdec + else + write (errmess,1003) + endif + write (array,errmess) xnum + return + + +c*****format statements +1001 format ('(f8.',i1,'$)') +1002 format ('(1pe8.1$)') +1003 format ('(f8.5$)') + + + end + + + -- cgit