diff options
Diffstat (limited to 'Sunder.f')
| -rwxr-xr-x | Sunder.f | 24 |
1 files changed, 24 insertions, 0 deletions
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 + |