https://github.com/bast/basissetconversiontools

Basis set conversion tools.
https://github.com/bast/basissetconversiontools

Last synced: 3 months ago
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Basis set conversion tools.

• Host: GitHub
• URL: https://github.com/bast/basissetconversiontools
• Owner: bast
• License: lgpl-3.0
• Created: 2014-04-01T19:58:34.000Z (about 12 years ago)
• Default Branch: master
• Last Pushed: 2014-04-01T20:05:41.000Z (about 12 years ago)
• Last Synced: 2025-03-22T23:13:21.701Z (about 1 year ago)
• Language: Visual Basic
• Size: 199 KB
• Stars: 3
• Watchers: 2
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst
  • License: LICENSE

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README

          


Basis set conversion tools

==========================

Use at own risk. Always double check

results and do not trust anybody.

orca2dalton.py

--------------

Script to convert ORCA basis set file to Dalton library format.

Example usage::

  ./orca2dalton.py < ano-pV5Z.bas > ano-pV5Z.dalton