Sophie

Sophie

distrib > Mandriva > 2010.0 > i586 > media > contrib-release > by-pkgid > 1207d5bcb9d72a9295f82613d8642ea2 > files > 66

gabedit-2.2.5-2mdv2010.0.i586.rpm

/****************************************************************************************************************************
 * At this directory you have 2 programs :
 * 1-> createMolproLibFileForGabedit.c
 * 2-> createMolproLibFunctionForGabedit.c
 *
 * 1)
 * createMolproLibFileForGabedit.c is a program for create molprobasis file.
 * For this : put createMolproLibFileForGabedit.c in the server where Molpro is installed.
 * Compile this program : cc -o createMolproLibFileForGabedit createMolproLibFileForGabedit.c 
 * Type the following order : libmol > libmol.bas
 * Type the following order : ./createMolproLibFileForGabedit
 * createMolproLibFileForGabedit create molprobasis file.
 * Put this file (molprobasis) in .gabedit.1.2.x directroy
 * .gabedit.1.2.x is a directory created by gabedit at your local station at your home directory
 * x is the number of micro version of gabedit (x=0, 1, 2, 3, 4, 5, 6, 7, 8 or 9)
 *
 *
 * 2)
 * createMolproLibFileForGabedit.c is a program for create a function of MolproLib.c file
 * this file is util only for Gabedit developers
 ---------------------------------------------------------------------------------------------------------------------------
 * in PBS directory, you have a script (submitMolpro) for submit a Molpro job under PBS batch (single processor) system
 * in LoadLeveler (IBM) directory, you have  a script (submitMolpro) for submit a Molpro job under LoadLeveler batch system
****************************************************************************************************************************/