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MLatom 3.16.0

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@dralgroup dralgroup released this 14 Jul 08:12
· 66 commits to main since this release
v3.16.0
625c520
  • TDDFT calculations with Gaussian, and TDDFT/TDA calculations with PySCF (tutorial).
  • Parsing Gaussian output files into MLatom's data format (tutorial).

Install: pip install mlatom==3.16.0 · full release notes · documentation

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