Skip to content

PCCD: check sd/sd2/refsd input in overlap and derivative functions #205

Description

@q-pratz-chem

Describe the task or issue:

  • Crosscheck mention of m=sd/sd1/sd2 in slater.occ_indices(m) or slater.sign_excite(m)
  • Move tmp_olp out of _olp and _olp_deriv
  • Move _olp or _olp_deriv functionality inside get_overlap and get_overlap_deriv

Metadata

Metadata

Labels

triageNeeds to be assigned/validated

Type

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions