cclib 0.7
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cclib 0.7
cclib is a Python library for parsing and interpreting the results of computational chemistry packages.....read more
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cclib 0.7 description
cclib is a Python library for parsing and interpreting the results of computational chemistry packages.
Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational mod...read more
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computational chemistry packages
python library
computational chemistry
chemistry packages
Cclib
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