https://github.com/radi0sus/orca_orb

Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.
https://github.com/radi0sus/orca_orb

computational-chemistry dft loewdin orbitals orca orca-quantum-chemistry output population python python3 quantum-chemistry

Last synced: 8 months ago
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Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.

• Host: GitHub
• URL: https://github.com/radi0sus/orca_orb
• Owner: radi0sus
• License: bsd-3-clause
• Created: 2019-01-31T19:21:39.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2019-02-07T18:39:15.000Z (over 6 years ago)
• Last Synced: 2024-12-05T16:13:13.049Z (10 months ago)
• Topics: computational-chemistry, dft, loewdin, orbitals, orca, orca-quantum-chemistry, output, population, python, python3, quantum-chemistry
• Language: Python
• Homepage:
• Size: 520 KB
• Stars: 5
• Watchers: 1
• Forks: 0
• Open Issues: 0

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