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MLatom 3.16.1

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@dralgroup dralgroup released this 14 Jul 08:12
· 62 commits to main since this release
v3.16.1
6b50ab6
  • DFTB and TD-DFTB calculations via the interface to the DFTB+ program (see the installation instructions).
  • Faster import — import mlatom now takes less than a second.

Install: pip install mlatom==3.16.1 · full release notes · documentation

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