| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_charges_types.F | 61 SUBROUTINE qs_charges_create(qs_charges, nspins, total_rho_core_rspace, & argument
63 TYPE(qs_charges_type), POINTER :: qs_charges local
95 SUBROUTINE qs_charges_retain(qs_charges) argument
96 TYPE(qs_charges_type), POINTER :: qs_charges local
113 SUBROUTINE qs_charges_release(qs_charges) argument
114 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_gapw_densities.F | 68 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_scf_output.F | 94 TYPE(qs_charges_type), POINTER :: qs_charges local
286 SUBROUTINE qs_scf_print_scf_summary(output_unit, rho, qs_charges, energy, nelectron_total, & argument
290 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_environment_methods.F | 107 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_environment_types.F | 255 TYPE(qs_charges_type), POINTER :: qs_charges component
514 …pools, mpools_aux_fit, input, para_env, blacs_env, scf_control, rel_control, kinetic, qs_charges, & argument
582 TYPE(qs_charges_type), OPTIONAL, POINTER :: qs_charges local
1072 scf_control, rel_control, qs_charges, ks_env, & argument
1097 TYPE(qs_charges_type), OPTIONAL, POINTER :: qs_charges local
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| H A D | cp_ddapc_util.F | 100 TYPE(qs_charges_type), POINTER :: qs_charges local
245 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | xas_tp_scf.F | 157 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_scf.F | 340 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | hartree_local_methods.F | 247 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_ks_methods.F | 922 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_ks_utils.F | 845 TYPE(qs_charges_type), POINTER :: qs_charges local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_charges_types.F | 61 SUBROUTINE qs_charges_create(qs_charges, nspins, total_rho_core_rspace, & argument
63 TYPE(qs_charges_type), POINTER :: qs_charges local
95 SUBROUTINE qs_charges_retain(qs_charges) argument
96 TYPE(qs_charges_type), POINTER :: qs_charges local
113 SUBROUTINE qs_charges_release(qs_charges) argument
114 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_gapw_densities.F | 69 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_scf_output.F | 94 TYPE(qs_charges_type), POINTER :: qs_charges local
285 SUBROUTINE qs_scf_print_scf_summary(output_unit, rho, qs_charges, energy, nelectron_total, & argument
289 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_environment_methods.F | 106 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_environment_types.F | 252 TYPE(qs_charges_type), POINTER :: qs_charges component
502 …pools, mpools_aux_fit, input, para_env, blacs_env, scf_control, rel_control, kinetic, qs_charges, & argument
570 TYPE(qs_charges_type), OPTIONAL, POINTER :: qs_charges local
1042 scf_control, rel_control, qs_charges, ks_env, & argument
1066 TYPE(qs_charges_type), OPTIONAL, POINTER :: qs_charges local
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| H A D | cp_ddapc_util.F | 100 TYPE(qs_charges_type), POINTER :: qs_charges local
245 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | xas_tp_scf.F | 157 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_scf.F | 338 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_ks_methods.F | 902 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | hartree_local_methods.F | 246 TYPE(qs_charges_type), POINTER :: qs_charges local
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| H A D | qs_ks_utils.F | 843 TYPE(qs_charges_type), POINTER :: qs_charges local
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