github grimme-lab/CENSO v3.0.3
CENSO v3.0.3

latest releases: v3.0.6, v3.0.5
3 months ago

More bugfixes:

  • fixed a bug where file handlers for loggers were not initialized correctly
  • fixed a bug where the chemical equivalencies were not read correctly from anmr_nucinfo
  • fixed a bug where refinement Gtot values were not updated
  • fixed a bug where charge and unpaired information was not applied to turbomole calculations

Full Changelog: v3.0.2...v3.0.3

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