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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

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  • Visual Basic .NET 93.7%
  • Python 6.3%