| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_env_types.F | 77 INTEGER :: nexc_search, nexc_atoms component
159 … stogto_overlap, occ_estate, xas_nelectron, xas_estate, nexc_atoms, nexc_search, spin_channel, & argument
190 INTEGER, INTENT(OUT), OPTIONAL :: xas_estate, nexc_atoms, nexc_search, & local
255 SUBROUTINE set_xas_env(xas_env, iter_count, nexc_search, spin_channel, nexc_atoms, & argument
260 INTEGER, INTENT(IN), OPTIONAL :: iter_count, nexc_search, spin_channel, & local
|
| H A D | xas_restart.F | 113 nexc_atoms_read, nexc_search, nexc_search_read, nmo, nmo_read, output_unit, rst_unit, & local
289 nexc_search, nmo, output_unit, & local
455 nexc_search, nmo, xas_estate local
|
| H A D | xas_control.F | 41 INTEGER :: nexc_search component
|
| H A D | xas_methods.F | 164 nao, nexc_atoms, nexc_search, nmo, nspins, output_unit, state_to_be_excited local
595 natom, ncubes, nelectron, nexc_atoms, nexc_search, nj, nk, nkind, nmo, nmoloc(2), & local
1504 nexc_search, output_unit local
|
| H A D | xas_tp_scf.F | 406 nexc_search, nmo, nvirtual2, uno_iter, xas_estate local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_env_types.F | 77 INTEGER :: nexc_search, nexc_atoms component
159 … stogto_overlap, occ_estate, xas_nelectron, xas_estate, nexc_atoms, nexc_search, spin_channel, & argument
190 INTEGER, INTENT(OUT), OPTIONAL :: xas_estate, nexc_atoms, nexc_search, & local
255 SUBROUTINE set_xas_env(xas_env, iter_count, nexc_search, spin_channel, nexc_atoms, & argument
260 INTEGER, INTENT(IN), OPTIONAL :: iter_count, nexc_search, spin_channel, & local
|
| H A D | xas_restart.F | 113 nexc_atoms_read, nexc_search, nexc_search_read, nmo, nmo_read, output_unit, rst_unit, & local
289 nexc_search, nmo, output_unit, & local
455 nexc_search, nmo, xas_estate local
|
| H A D | xas_control.F | 41 INTEGER :: nexc_search component
|
| H A D | xas_methods.F | 164 nao, nexc_atoms, nexc_search, nmo, nspins, output_unit, state_to_be_excited local
595 natom, ncubes, nelectron, nexc_atoms, nexc_search, nj, nk, nkind, nmo, nmoloc(2), & local
1504 nexc_search, output_unit local
|
| H A D | xas_tp_scf.F | 406 nexc_search, nmo, nvirtual2, uno_iter, xas_estate local
|