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IRC_to_com
IRC_to_com PublicConverts the points of IRC calculations into Gaussian input files (com) with the keywords that the user specifies.
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GoodVibes
GoodVibes PublicForked from patonlab/GoodVibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Python
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cclib
cclib PublicForked from cclib/cclib
Parsers and algorithms for computational chemistry logfiles
Python
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aqme-feedstock
aqme-feedstock PublicForked from conda-forge/aqme-feedstock
A conda-smithy repository for aqme.
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