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koopmans v0.7
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@elinscott elinscott released this 16 Aug 16:00
· 35 commits to master since this release
v0.7
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Learn about vigilant mode.

This is release v0.7.0 of koopmans.

This is a minor release that adds several new functionalities to the code, including

  • a new input file format that is more consistent with the way we instantiate Workflow objects within python. (Note that we do not have backwards compatibility with the old input fle format.)
  • workflows and calculators for calculating the dielectric tensor
  • ibrav autodetection
  • increased test coverage

For a full changelog, see v0.6...v0.7

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