| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_env_types.F | 90 REAL(dp) :: ip_energy, occ_estate, unoccupied_eps, xas_nelectron, homo_occ component
159 … stogto_overlap, occ_estate, xas_nelectron, xas_estate, nexc_atoms, nexc_search, spin_channel, & argument
189 REAL(dp), INTENT(OUT), OPTIONAL :: occ_estate, xas_nelectron local
256 nvirtual, nvirtual2, ip_energy, occ_estate, qs_loc_env, & argument
262 REAL(dp), INTENT(IN), OPTIONAL :: ip_energy, occ_estate local
|
| H A D | xas_restart.F | 116 REAL(dp) :: occ_estate, occ_estate_read, & local
291 REAL(dp) :: occ_estate, xas_nelectron local
457 REAL(dp) :: a_max, b_max, ip_energy, occ_estate local
|
| H A D | qs_mo_occupation.F | 71 occ_estate local
413 occ_estate, total_zeff_corr, & local
|
| H A D | xas_methods.F | 171 REAL(dp) :: maxocc, occ_estate, tmp, xas_nelectron local
602 REAL(dp) :: nele, occ_estate, occ_homo, & local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_env_types.F | 90 REAL(dp) :: ip_energy, occ_estate, unoccupied_eps, xas_nelectron, homo_occ component
159 … stogto_overlap, occ_estate, xas_nelectron, xas_estate, nexc_atoms, nexc_search, spin_channel, & argument
189 REAL(dp), INTENT(OUT), OPTIONAL :: occ_estate, xas_nelectron local
256 nvirtual, nvirtual2, ip_energy, occ_estate, qs_loc_env, & argument
262 REAL(dp), INTENT(IN), OPTIONAL :: ip_energy, occ_estate local
|
| H A D | qs_mo_occupation.F | 71 occ_estate local
368 lengthscale, nelec, occ_estate, & local
|
| H A D | xas_restart.F | 116 REAL(dp) :: occ_estate, occ_estate_read, & local
291 REAL(dp) :: occ_estate, xas_nelectron local
457 REAL(dp) :: a_max, b_max, ip_energy, occ_estate local
|
| H A D | xas_methods.F | 171 REAL(dp) :: maxocc, occ_estate, tmp, xas_nelectron local
602 REAL(dp) :: nele, occ_estate, occ_homo, & local
|