File:Entropy.tar.tgz

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Entropy.tar.tgz (file size: 1 KB, MIME type: unknown/unknown)

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Calculate vibration contributed entropy from frequency calculations

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Date/TimeDimensionsUserComment
current15:31, 11 March 2018 (1 KB)Qli (talk | contribs)A python script to calculate the entropy under specific temperature. This script will also calculate zero-point energy as a byproduct.
09:15, 2 October 2017 (1 KB)Qli (talk | contribs)Calculate vibration contributed entropy from frequency calculations

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