Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * `AOs `_ * `BiInts `_ * `Bitmask `_ * `Dets `_ * `Electrons `_ * `Ezfio_files `_ * `Hartree_Fock `_ * `MonoInts `_ * `MOs `_ * `Nuclei `_ * `Output `_ * `SingleRefMethod `_ * `Utils `_ Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. `fill_h_apply_buffer `_ Fill the H_apply buffer with determiants for CISD `h_apply_cisd `_ Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). `cisd_sc2 `_ CISD+SC2 method :: take off all the disconnected terms of a CISD (selected or not) .br dets_in : bitmasks corresponding to determinants .br u_in : guess coefficients on the various states. Overwritten on exit .br dim_in : leftmost dimension of u_in .br sze : Number of determinants .br N_st : Number of eigenstates .br Initial guess vectors are not necessarily orthonormal `repeat_excitation `_ Undocumented