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Releases: qcscine/serenity_wrapper

Release 3.1.0

26 Aug 04:20
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Changes:

  • Add unit tests for Python package and remove obsolete tests

Release 3.0.0

20 Nov 11:00
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Changes:

  • Update Serenity to version 1.5.2
  • Add basic unittests based on the Python3 package
  • Update address in license

Release 2.0.0

12 May 07:06
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Changes:

  • Update calculator interface
  • Allow to specify the pressure for thermochemical calculations

Release 1.0.1

12 Aug 05:02
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Changes:

  • Various bugfixes and improvements

Release 1.0.0

23 Jun 06:58
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  • Interfaces Serenity v1.4.0
  • Exports DFT, HF, CC, and DLPNO-CC capabilities