MRChemSoft / mrchem

MultiResolution Chemistry
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Prepare MRChem-v1.1 #424

Closed stigrj closed 1 year ago

stigrj commented 1 year ago

release/1.1 has been branched off the current master, and this PR basically just removes all ZORA-related features which will instead appear in the next v1.2 version.

See CHANGELOG for added features relative to v1.0

The "Update docs" commit will be cherry-picked into master after the merge, everything else will remain local to the release/1.1 branch.

The new solvent feature could have been described explicitly in the User's Manual, but that would require some work. At least it is reasonably well documented in the input reference.

Also the use of MRChem through QCEngine could have been documented somewhere.