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Version 3.2

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@felixplasser felixplasser released this 16 Jul 09:50
v3.2
4ff1a0d
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TheoDORE 3.2

  • Compute absorption cross section and extinction coefficient in spectrum.py
  • Updates for DFT/MRCI, including triplets
  • OpenMolcas input via: theodore theoinp -a
  • Standalone Orca interface
  • Fix for es2es
  • VIST plots for Turbomole
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