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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> |
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