/************************************************************************************************** * At this directory you have 3 programs : * 1-> molcaslib.c * 2-> createMolcasLibFileForGabedit.c * 3-> createMolcasLibFunctionForGabedit.c * * 1) molcaslib.c is a program for obtain the list of basis available in Molcas software. * For this : put molcaslib.c in the server where Molcas is installed. * Compile this program : cc -o molcaslib molcaslib.c * Type the following order : ./molcaslib and enter for obtain all basis for all atoms * Type the following order : ./molcaslib SymbolOfAtom and enter for obtain all basis 'SymbolOfAtom' atom * For example type molcaslib H and enter for obtain all basis H atom * * 1) * createMolcasLibFileForGabedit.c is a program for create molcasbasis file. * For this : put createMolcasLibFileForGabedit.c in the server where Molcas is installed. * Compile this program : cc -o createMolcasLibFileForGabedit createMolcasLibFileForGabedit.c * Type the following order : ./createMolcasLibFileForGabedit * createMolcasLibFileForGabedit.c create molcasbasis file. * Put this file (molcasbasis) 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) * createMolcasLibFunctionForGabedit.c is a program for create a function of MolcasLib.c file * this file is util only for Gabedit developers ***************************************************************************************************/