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Enhanced results and fixed problem with psi4.ini
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@seamm seamm released this 30 Jul 15:24
· 4 commits to main since this release
2024.7.30
248a997
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GPG key ID: B5690EEEBB952194
Learn about vigilant mode.
  • Added to the results by using cclib to parse the output.
  • If ~/SEAMM/psi4.ini did not exist the version that was automatically created was not complete, causing calculations to fail.
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