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v0.2.0

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@thfroitzheim thfroitzheim released this 12 Mar 13:45
3145b75

Note: This is the first tagged release!

What's Changed

  • Add CI and update documentation by @awvwgk in #1
  • Implemented the CDS Term of the SMD by @MtoLStoN in #2
  • Correctly include surface area in angular grid weights by @awvwgk in #5
  • Correct Surface Tension Calculation by @MtoLStoN in #6
  • Fixed a Bug, that occured when reading self defined Parameter Files. by @MtoLStoN in #7
  • Added default solvents from MNSOL by @MtoLStoN in #8
  • Enhancement and Bugfixing by @MtoLStoN in #9
  • Add Cmake Support. by @MtoLStoN in #10
  • Fix Cmake. by @MtoLStoN in #12
  • Fix dependencies to newest version and allow discover of mctc-lib by @thfroitzheim in #15

New Contributors

Full Changelog: https://github.com/grimme-lab/numsa/commits/v0.2.0