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freebsd-ports/biology/mopac/files/patch-ab
1999-05-06 08:23:21 +00:00

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*** SIZES.2 Wed Apr 23 16:26:42 1997
--- SIZES Wed Apr 23 16:36:49 1997
***************
*** 10,16 ****
* ISYBYL = 1 IF MOPAC IS TO BE USED IN THE SYBYL PACKAGE, =0 OTHERWISE
* SEE ALSO NMECI, NPULAY AND MESP AT THE END OF THIS FILE
*
! PARAMETER (MAXHEV=30, MAXLIT=30)
PARAMETER (MAXTIM=3600, MAXDMP=3600)
PARAMETER (ISYBYL=0)
*
--- 10,16 ----
* ISYBYL = 1 IF MOPAC IS TO BE USED IN THE SYBYL PACKAGE, =0 OTHERWISE
* SEE ALSO NMECI, NPULAY AND MESP AT THE END OF THIS FILE
*
! PARAMETER (MAXHEV=50, MAXLIT=50)
PARAMETER (MAXTIM=3600, MAXDMP=3600)
PARAMETER (ISYBYL=0)
*
***************
*** 32,38 ****
* MAXHES AREA OF HESSIAN MATRIX
* MAXALL LARGER THAN MAXORB OR MAXPAR.
************************************************************************
! PARAMETER (VERSON=7.01D0)
PARAMETER (NUMATM=MAXHEV+MAXLIT)
PARAMETER (MAXORB=4*MAXHEV+MAXLIT)
PARAMETER (MAXPAR=3*NUMATM)
--- 32,38 ----
* MAXHES AREA OF HESSIAN MATRIX
* MAXALL LARGER THAN MAXORB OR MAXPAR.
************************************************************************
! PARAMETER (VERSON=7.02D0)
PARAMETER (NUMATM=MAXHEV+MAXLIT)
PARAMETER (MAXORB=4*MAXHEV+MAXLIT)
PARAMETER (MAXPAR=3*NUMATM)