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API preventative care #224

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Nov 11, 2024
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API preventative care #224

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6 changes: 6 additions & 0 deletions src/run_mopac.F90
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Expand Up @@ -128,6 +128,12 @@ subroutine run_mopac
numcal0 = numcal
job_no0 = job_no
step_num0 = step_num
! other initialization to prevent hysteresis between API calls (add more as needed)
keywrd = ' '
keywrd_txt = ' '
keywrd_quoted = ' '
refkey = ' '
call summary("",-21) ! reset MOPAC's error handler
!------------------------------------------------------------------------
tore = ios + iop + iod
call fbx ! Factorials and Pascal's triangle (pure constants)
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