=========== Dets Module =========== This module contains the determinants of the CI wave function. H is applied on the list of generator determinants. Selected determinants are added into the *H_apply buffer*. Then the new wave function is constructred as the concatenation of the odl wave function and some determinants of the H_apply buffer. Generator determinants are built as a subset of the determinants of the wave function. Assumptions =========== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * The MOs are orthonormal * All the determinants have the same number of electrons * The determinants are orthonormal * The number of generator determinants <= the number of determinants * All the determinants in the H_apply buffer are supposed to be different from the wave function determinants * All the determinants in the H_apply buffer are supposed to be unique Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * `AOs `_ * `BiInts `_ * `Bitmask `_ * `Electrons `_ * `Ezfio_files `_ * `Hartree_Fock `_ * `MonoInts `_ * `MOs `_ * `Nuclei `_ * `Output `_ * `Utils `_ Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file.