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Thermochemistry and orbital plotting
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@seamm seamm released this 05 Jun 12:55
· 61 commits to main since this release
2023.6.4
80c6e4b
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Learn about vigilant mode.
  • Added a thermochemistry step to calculate the vibrational corrections to the energy, enthalpy, and free energy
  • Added plotting to cube files for density and orbitals
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