CLAG¶
Solves for the CI Lagrangian. Called whenever CI properties or gradients are requested.
General¶
CAS_FILES_WRITE¶
Do write the OEI, TEI, OPDM, TPDM, and Lagrangian files in canonical form, Pitzer order?
- Type: boolean
- Default: false
FOLLOW_ROOT¶
Root to get OPDM
- Type: integer
- Default: 1