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Release 0.3.0
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@github-actions github-actions released this 20 Dec 20:57
· 120 commits to f5aca411399bebbe81b68cce3a4943435d2e6418 since this release
0.3.0
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Learn about vigilant mode.

0.3.0 - 2022-12-16

Added

  • Added extensive documentation to README.md to guide new users and developers.

Changed

  • Switched default worker environment from conda to micromamba to accelerate build times (dramatically!).
  • Created env.lock file for reproducible builds of micromamba/conda installs
  • Updated psi4==1.5 -> 1.7
  • Updated qcengine==0.21.0 -> 0.26.0
  • Updated qcelemental==0.24.0 -> 0.25.1
  • Switched geomeTRIC from personal patched version to new 1.0 release.
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