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cclib 1.7.2 released
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Karol Langner
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Jul 30, 2022, 5:55:06 PM
7/30/22
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Hi all,
About a week ago we released version 1.7.2 of cclib, on
GitHub
and
PyPI
.Â
Summary of change since last version
Support for excited states, vibrational frequency and thermochemistry for NWChem
Better metadata support for point group detection
Several other improvements and fixes, see changelog for details
Karol on behalf of cclib devs
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