https://github.com/jamesetsmith/ppix_final

NEVPT2 Calculations on Protoporphyrin IX
https://github.com/jamesetsmith/ppix_final

chemistry pyscf

Last synced: 15 days ago
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NEVPT2 Calculations on Protoporphyrin IX

• Host: GitHub
• URL: https://github.com/jamesetsmith/ppix_final
• Owner: jamesETsmith
• Created: 2020-05-29T17:24:11.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2021-02-10T17:24:53.000Z (almost 4 years ago)
• Last Synced: 2023-03-04T00:35:28.673Z (over 1 year ago)
• Topics: chemistry, pyscf
• Language: Python
• Homepage:
• Size: 110 KB
• Stars: 1
• Watchers: 1
• Forks: 0
• Open Issues: 0

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