https://github.com/jenskrumsieck/orca-scripts
Some ORCA 5.0 scripts i use in my workflow
https://github.com/jenskrumsieck/orca-scripts
chemistry computing density-functional-theory dft orca orca-quantum-chemistry python
Last synced: 8 months ago
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Some ORCA 5.0 scripts i use in my workflow
- Host: GitHub
- URL: https://github.com/jenskrumsieck/orca-scripts
- Owner: JensKrumsieck
- Created: 2021-11-02T00:00:47.000Z (over 4 years ago)
- Default Branch: master
- Last Pushed: 2023-06-05T11:51:09.000Z (over 2 years ago)
- Last Synced: 2024-12-19T00:17:53.290Z (about 1 year ago)
- Topics: chemistry, computing, density-functional-theory, dft, orca, orca-quantum-chemistry, python
- Language: Python
- Homepage:
- Size: 20.5 KB
- Stars: 6
- Watchers: 2
- Forks: 1
- Open Issues: 0