[io_ao_two_e_integrals] type: Disk_access doc: Read/Write |AO| integrals from/to disk [ Write | Read | None ] interface: ezfio,provider,ocaml default: None [ao_integrals_threshold] type: Threshold doc: If | (pq|rs) | < `ao_integrals_threshold` then (pq|rs) is zero interface: ezfio,provider,ocaml default: 1.e-15 ezfio_name: threshold_ao [do_direct_integrals] type: logical doc: Compute integrals on the fly (very slow, only for debugging) interface: ezfio,provider,ocaml default: False ezfio_name: direct [df_num] type: integer doc: Size of df basis interface: ezfio, provider [io_df_ao_integrals] type: Disk_access doc: Read/Write df |AO| integrals from/to disk [ Write | Read | None ] interface: ezfio,provider,ocaml default: None [df_ao_integrals_complex] type: double precision doc: Real part of the df integrals over AOs size: (2,ao_basis.ao_num_per_kpt,ao_basis.ao_num_per_kpt,ao_two_e_ints.df_num,nuclei.kpt_pair_num) interface: ezfio [chol_num] type: integer doc: number of cholesky vecs for each kpt size: (nuclei.unique_kpt_num) interface: ezfio, provider [chol_num_max] type: integer doc: max number of cholesky vecs interface: ezfio, provider [io_chol_ao_integrals] type: Disk_access doc: Read/Write chol |AO| integrals from/to disk [ Write | Read | None ] interface: ezfio,provider,ocaml default: None [chol_ao_integrals_complex] type: double precision doc: Cholesky decomposed integrals over AOs size: (2,ao_basis.ao_num_per_kpt,ao_basis.ao_num_per_kpt,ao_two_e_ints.chol_num_max,nuclei.kpt_num,nuclei.unique_kpt_num) interface: ezfio