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June Updates

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@corinwagen corinwagen released this 30 Jun 19:22
· 77 commits to master since this release

Major updates:

  • XYZFile now possesses an ensemble property, not a molecule property. (Calling xyzfile.molecule will give a DeprecationWarning but is permitted for now.)

Minor updates:

  • Classical initialization has been added to cctk.quasiclassical, along with the ability to perform mode-specific configuration.