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s-dftd3 version 1.0.0
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@awvwgk awvwgk released this 18 Jul 11:55
· 45 commits to main since this release
v1.0.0
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Changelog

  • PySCF: Add support for recording dispersion energy by @awvwgk in #38
  • Add PySCF B3LYP variant names and DM21 functionals by @awvwgk in #42
  • Add pass-through arguments and allow setting parameters in PySCF wrapper by @awvwgk in #44
  • Release version 1.0.0 by @awvwgk in #43

Full Changelog: v0.7.0...v1.0.0

Contributors

awvwgk
Assets 18
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