examples/vibration_analysis.py · d10c78410843cdb36e2cd933b1921acd65e32f72 · OpenDAS / torchani · GitLab

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Now vibrational analysis includes reduced masses, force constants and normalized modes (#413) · 168b0593
Ignacio Pickering authored Feb 04, 2020
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* Add force constants, reduced masses and normalized normal modes to vibrational analysis

* Formatting to make flake8 happy
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168b0593

vibration_analysis.py 3.26 KB