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https://github.com/panadestein/mctdh_pespy
Parses the PES section of a MCTDH operator files. Conforms the SOP-PES and uses it to generate geometries in a MCMC scheme
https://github.com/panadestein/mctdh_pespy
Last synced: 1 day ago
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Parses the PES section of a MCTDH operator files. Conforms the SOP-PES and uses it to generate geometries in a MCMC scheme
- Host: GitHub
- URL: https://github.com/panadestein/mctdh_pespy
- Owner: Panadestein
- License: mit
- Created: 2019-10-09T23:22:43.000Z (about 5 years ago)
- Default Branch: master
- Last Pushed: 2020-05-22T17:56:42.000Z (over 4 years ago)
- Last Synced: 2023-03-09T22:35:23.284Z (over 1 year ago)
- Language: Python
- Size: 24.4 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0