Skip to content

McKinley: Support for MCPDFT

Jellby requested to merge mcpdft_mckinley into master

At least run the proper sequence with analytical gradients. Fully numerical frequencies (with numerical gradients) untested.

Fix #386 (closed).

  • Documentation updated or not needed.
  • Test created or not needed.
  • Attribution in source files and CONTRIBUTORS.md updated if necessary.

Merge request reports