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https://github.com/lukaswittmann/qube
QUBE (Quantum chemistry Utility for Benchmark Evaluation) is a Fortran-based tool designed for extracting energies from the output files of quantum chemistry calculations for large benchmark sets.
https://github.com/lukaswittmann/qube
computational-chemistry orca-quantum-chemistry quantum-chemistry theoretical-chemistry
Last synced: about 2 months ago
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QUBE (Quantum chemistry Utility for Benchmark Evaluation) is a Fortran-based tool designed for extracting energies from the output files of quantum chemistry calculations for large benchmark sets.
- Host: GitHub
- URL: https://github.com/lukaswittmann/qube
- Owner: lukaswittmann
- Created: 2023-03-28T07:35:31.000Z (over 1 year ago)
- Default Branch: main
- Last Pushed: 2023-08-17T10:20:37.000Z (over 1 year ago)
- Last Synced: 2023-08-17T11:30:50.481Z (over 1 year ago)
- Topics: computational-chemistry, orca-quantum-chemistry, quantum-chemistry, theoretical-chemistry
- Language: Fortran
- Homepage:
- Size: 23.4 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0