*** 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)