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cclib-v1.4

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@langner langner released this 24 Apr 16:49
· 3051 commits to master since this release

Summary of changes since cclib 1.3.1

  • New parser: cclib can now parse DALTON files
  • New parser: cclib can now parse ORCA files
  • New attribute optstatus for status during geometry optimizations and scans
  • Improvements to the unit test and regression suites
  • Support for Python 3.5
  • Many bugfixes and patches thanks to Sagar Gaur, mwykes, Martin Peeks and others

Note: this release tag might contain some commits from #249 or other pull requests in its history.