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| author | Joseph Hunkeler <jhunkeler@gmail.com> | 2021-08-04 15:18:08 -0400 |
|---|---|---|
| committer | Joseph Hunkeler <jhunkeler@gmail.com> | 2021-08-04 15:18:08 -0400 |
| commit | 70fd14e98bc476a84aef352eaf063cfcba44ab83 (patch) | |
| tree | 2737f5c1c21c76824f49c6a1b9c7061952b646f5 /Molquery.f | |
| parent | c396a4bc7a3282de9d2191de0e1076fec9df0783 (diff) | |
| download | moog-70fd14e98bc476a84aef352eaf063cfcba44ab83.tar.gz | |
Use modern equality operators
Diffstat (limited to 'Molquery.f')
| -rwxr-xr-x | Molquery.f | 18 |
1 files changed, 9 insertions, 9 deletions
@@ -17,12 +17,12 @@ c****************************************************************************** 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 + if (atom1(lim1line) < 100.) then + if (neq == 0) then return else do n=1,neq - if (iabatom .eq. iorder(n)) molflag = 1 + if (iabatom == iorder(n)) molflag = 1 return enddo endif @@ -31,7 +31,7 @@ c*****search for it in the list of elements done in M.E. 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 + if (neq == 0) then lscreen = lscreen + 2 write (array,1001) iabatom call prinfo (lscreen) @@ -41,9 +41,9 @@ c*****halt if M.E. wasn't done or didn't include this species iaa = ia ibb = ib do n=1,neq - if (ia.eq.iorder(n) .or. ib.eq.iorder(n)) molflag = ia + if (ia==iorder(n) .or. ib==iorder(n)) molflag = ia enddo - if (molflag .eq. 0) then + if (molflag == 0) then lscreen = lscreen + 2 write (array,1002) iabatom call prinfo (lscreen) @@ -52,8 +52,8 @@ c*****halt if M.E. wasn't done or didn't include this species 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 + if (ia==1 .or. ib==1) then + if (ia == 1) then iabatom = ib else iabatom = ia @@ -67,7 +67,7 @@ c*****for other molecules, the user specifies which element will be varied call getnum (nchars,ikount+1,xnum,shortnum) iabatom = int(xnum+0.0001) - if (iabatom.ne.ia .and. iabatom.ne.ib) then + if (iabatom/=ia .and. iabatom/=ib) then write (array,1003) stop endif |