http://server.ccl.net/cca/software/SOURCES/PYTHON/bsse_input_generator/index.shtml |
CCL Input generator for BSSE correction calculations | ||||||||||||||
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The README File
input4bsse.py is a python script that will generate
the necessary input
files for BSSE correction calculations on clusters.
It scans a GAMESS-US
output file for an optimization of a cluster and generates
the input files,
both for single fixed geometries of the monomers and
for monomers with the
basis functions of the ghost atoms. File List for bsse_input_generator Directory
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