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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
- @awvwgk made their first contribution in #1
- @thfroitzheim made their first contribution in #15
Full Changelog: https://github.com/grimme-lab/numsa/commits/v0.2.0