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/****************************************************************************************************************************
* 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
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* 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
****************************************************************************************************************************/
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