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interpreting the results of computational chemistry packages. The current version, cclib 0.9, parses output files from ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar, Molpro, ORCA and PC GAMESS. WWW: http://cclib.sourceforge.net/ PR: ports/125490 Submitted by: Wen Heping <wenheping at gmail.com>
6 lines
302 B
Text
6 lines
302 B
Text
Py-cclib is an open source library, written in Python, for parsing and
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interpreting the results of computational chemistry packages. The current
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version, cclib 0.9, parses output files from ADF, GAMESS (US), GAMESS-UK,
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Gaussian, Jaguar, Molpro, ORCA and PC GAMESS.
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WWW: http://cclib.sourceforge.net/
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