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CCL fchk2psi.txt | ||||
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FCHK2PSI is UNIX utility program for PSI88. It is supposed to be placed in /pub/chemistry/software/SOURCES/FORTRAN/psi88. # @(#) fchk2psi: extracts molecular coordinates and MO coefficients # from Gaussian formchekpoint file and creates input files for # the PSI88 package written by Prof. William Jorgensen and Dr. # Dan Severance at Yale University. # To get MO coefficients from Gaussian, specify FORMCHECK=ALL. # Dongchul Lim Department of Chemistry, Yale University lim@rani.chem.yale.edu |
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