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MLatom 3.21.0

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@dralgroup dralgroup released this 14 Jul 08:12
· 41 commits to main since this release
v3.21.0
18ad57c
  • Refactored ORCA interface supporting many more excited-state simulations (e.g. QD-NEVPT2).
  • Quality-of-life improvements for analysing UV/vis absorption spectra (tutorial).
  • Bug fixes and improvements.

Install: pip install mlatom==3.21.0 · full release notes · documentation

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