github dftd3/simple-dftd3 v0.7.0
s-dftd3 version 0.7.0

latest releases: v1.4.0, v1.3.2, v1.3.1...
3 years ago

Changelog

  • Support PySCF by @awvwgk in #17
  • Add support for 1D and 2D periodic boundary conditions by @awvwgk in #18
  • Update install-mod.py by @kjelljorner in #19
  • Switch to meson-python as build system by @awvwgk in #20
  • Add parameters for B97-3c by @hebrewsnabla in #26
  • replace deprecated make_directory with file(MAKE_DIRECTORY) by @e-kwsm in #21
  • Use consistent s9 parameters in parameters file by @awvwgk in #28
  • Mark Python source installation as non-pure by @awvwgk in #29
  • Use conda-forge instead of PyPI to provision sdist workflow by @awvwgk in #31
  • Bump to version 0.7.0 by @awvwgk in #32

New Contributors

  • @kjelljorner made their first contribution in #19
  • @hebrewsnabla made their first contribution in #26
  • @e-kwsm made their first contribution in #21

Full Changelog: v0.6.0...v0.7.0

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