| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_local_rho_types.F | 42 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set component
177 SUBROUTINE get_local_rho(local_rho_set, rho_atom_set, rho0_atom_set, rho0_mpole, rhoz_set) argument
181 POINTER :: rho_atom_set local
257 SUBROUTINE set_local_rho(local_rho_set, rho_atom_set, rho0_atom_set, rho0_mpole, & argument
262 POINTER :: rho_atom_set local
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| H A D | qs_rho_atom_types.F | 64 SUBROUTINE allocate_rho_atom_set(rho_atom_set, natom) argument
66 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
105 SUBROUTINE deallocate_rho_atom_set(rho_atom_set) argument
107 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho_atom_methods.F | 102 SUBROUTINE calculate_rho_atom(para_env, rho_atom_set, qs_kind, atom_list, & argument
106 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
476 … SUBROUTINE calculate_rho_atom_coeff(qs_env, rho_ao, rho_atom_set, qs_kind_set, oce, sab, para_env) argument
480 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
827 SUBROUTINE init_rho_atom(rho_atom_set, atomic_kind_set, qs_kind_set, dft_control, para_env) argument
829 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
991 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
1146 SUBROUTINE allocate_rho_atom_rad(rho_atom_set, iatom, ispin, nr, max_iso_not0) argument
1148 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
1207 SUBROUTINE set2zero_rho_atom_rad(rho_atom_set, iatom, ispin) argument
[all …]
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| H A D | qs_gapw_densities.F | 72 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_electric_field_gradient.F | 122 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
419 SUBROUTINE vlimit_atom(para_env, vlimit, rho_atom_set, qs_kind, & argument
426 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_epr_hyp.F | 113 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho0_methods.F | 174 SUBROUTINE calculate_rho0_atom(gapw_control, rho_atom_set, rho0_atom_set, & argument
178 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_environment_types.F | 517 molecule_set, subsys, cp_subsys, oce, local_rho_set, rho_atom_set, & argument
601 POINTER :: rho_atom_set local
1074 input, oce, rho_atom_set, rho0_atom_set, rho0_mpole, run_rtp, rtp, & argument
1106 POINTER :: rho_atom_set local
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| H A D | xray_diffraction.F | 119 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
532 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_linres_epr_nablavks.F | 164 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho_methods.F | 370 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho0_ggrid.F | 386 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_environment.F | 549 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_local_rho_types.F | 42 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set component
177 SUBROUTINE get_local_rho(local_rho_set, rho_atom_set, rho0_atom_set, rho0_mpole, rhoz_set) argument
181 POINTER :: rho_atom_set local
257 SUBROUTINE set_local_rho(local_rho_set, rho_atom_set, rho0_atom_set, rho0_mpole, & argument
262 POINTER :: rho_atom_set local
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| H A D | qs_rho_atom_types.F | 64 SUBROUTINE allocate_rho_atom_set(rho_atom_set, natom) argument
66 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
105 SUBROUTINE deallocate_rho_atom_set(rho_atom_set) argument
107 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho_atom_methods.F | 104 SUBROUTINE calculate_rho_atom(para_env, rho_atom_set, qs_kind, atom_list, & argument
108 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
469 SUBROUTINE calculate_rho_atom_coeff(qs_env, rho_ao, rho_atom_set) argument
474 POINTER :: rho_atom_set local
842 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
981 SUBROUTINE allocate_rho_atom_internals(qs_env, rho_atom_set) argument
984 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
1144 SUBROUTINE allocate_rho_atom_rad(rho_atom_set, iatom, ispin, nr, max_iso_not0) argument
1146 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
1205 SUBROUTINE set2zero_rho_atom_rad(rho_atom_set, iatom, ispin) argument
[all …]
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| H A D | qs_gapw_densities.F | 73 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_electric_field_gradient.F | 122 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
419 SUBROUTINE vlimit_atom(para_env, vlimit, rho_atom_set, qs_kind, & argument
426 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_epr_hyp.F | 113 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | xray_diffraction.F | 118 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
531 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho0_methods.F | 179 SUBROUTINE calculate_rho0_atom(gapw_control, rho_atom_set, rho0_atom_set, & argument
185 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_environment_types.F | 505 molecule_set, subsys, cp_subsys, oce, rho_atom_set, & argument
588 POINTER :: rho_atom_set local
1044 input, oce, rho_atom_set, rho0_atom_set, rho0_mpole, run_rtp, rtp, & argument
1075 POINTER :: rho_atom_set local
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| H A D | qs_linres_epr_nablavks.F | 159 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_rho0_ggrid.F | 402 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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| H A D | qs_linres_epr_ownutils.F | 590 TYPE(rho_atom_type), DIMENSION(:), POINTER :: rho_atom_set local
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