CISD ==== This is a test directory which builds a CISD by setting the follwoing rules: * The only generator determinant is the Hartee-Fock (single-reference method) * All generated determinants are included in the wave function (no perturbative selection) These rules are set in the ``H_apply.irp.f`` file. Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. by the `update_README.py` script. .. image:: tree_dependency.png * `Selectors_full `_ * `SingleRefMethod `_ Documentation ============= .. Do not edit this section. It was auto-generated from the .. by the `update_README.py` script. `h_apply_cisd `_ Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. `h_apply_cisd_diexc `_ Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. `h_apply_cisd_monoexc `_ Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png * `Selectors_full `_ * `SingleRefMethod `_ Documentation ============= .. Do not edit this section It was auto-generated .. by the `update_README.py` script. `cisd `_ Undocumented `h_apply_cisd `_ Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script. `h_apply_cisd_diexc `_ Generate all double excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided. `h_apply_cisd_monoexc `_ Generate all single excitations of key_in using the bit masks of holes and particles. Assume N_int is already provided.