/************************************************************************************************** * At this directory you have 2 programs : * 1-> createMPQCLibFileForGabedit.c * 2-> createMPQCLibFunctionForGabedit.c * * 1) createMPQCLibFileForGabedit.c is a program for create mpqcBasis file. * For this : put createMPQCLibFileForGabedit.c in the server where MPQC is installed. * Compile this program : cc -o createMPQCLibFileForGabedit createMPQCLibFileForGabedit.c * * from MPQCDirectory/src/lib/chemistry/qc/basis/gaussbas.h get * the table of basis, delete <table> keyword, </table> keyword and * the first line of table (title : Element ...) * save this file in mpqc.bas * * Type the following order : ./createMPQCLibFileForGabedit * createMPQCLibFileForGabedit.c create mpqcBasis file. * Put this file (mpqcBasis) 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) createMPQCLibFunctionForGabedit.c is a program for create a function of MPQCLib.c file * this file is util only for Gabedit developers ***************************************************************************************************/