| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_charge_mixing.F | 41 SUBROUTINE charge_mixing(mixing_method, mixing_store, charges, para_env, iter_count) argument
43 TYPE(mixing_storage_type), POINTER :: mixing_store local
119 SUBROUTINE mix_charges_only(mixing_store, charges, alpha, imin, ns, para_env) argument
120 TYPE(mixing_storage_type), POINTER :: mixing_store local
152 SUBROUTINE broyden_mixing(mixing_store, charges, inow, nvec, ns, para_env) argument
153 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| H A D | qs_mixing_utils.F | 113 SUBROUTINE mixing_allocate(qs_env, mixing_method, p_mix_new, p_delta, nspins, mixing_store) argument
119 TYPE(mixing_storage_type), POINTER :: mixing_store local
510 SUBROUTINE mixing_init(mixing_method, rho, mixing_store, para_env, rho_atom) argument
513 TYPE(mixing_storage_type), POINTER :: mixing_store local
789 SUBROUTINE charge_mixing_init(mixing_store) argument
790 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| H A D | qs_density_mixing_types.F | 115 SUBROUTINE mixing_storage_create(mixing_store, mixing_section, mixing_method, ecut) argument
116 TYPE(mixing_storage_type), POINTER :: mixing_store local
231 SUBROUTINE mixing_storage_release(mixing_store) argument
232 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| H A D | qs_gspace_mixing.F | 76 TYPE(mixing_storage_type), POINTER :: mixing_store local
216 SUBROUTINE gmix_potential_only(qs_env, mixing_store, rho, para_env) argument
219 TYPE(mixing_storage_type), POINTER :: mixing_store local
312 SUBROUTINE pulay_mixing(qs_env, mixing_store, rho, para_env) argument
315 TYPE(mixing_storage_type), POINTER :: mixing_store local
566 SUBROUTINE broyden_mixing(qs_env, mixing_store, rho, para_env) argument
569 TYPE(mixing_storage_type), POINTER :: mixing_store local
886 SUBROUTINE broyden_mixing_new(mixing_store, rho, para_env) argument
888 TYPE(mixing_storage_type), POINTER :: mixing_store local
1196 SUBROUTINE multisecant_mixing(mixing_store, rho, para_env) argument
[all …]
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| H A D | qs_scf_types.F | 90 TYPE(mixing_storage_type), POINTER :: mixing_store component
105 TYPE(mixing_storage_type), POINTER :: mixing_store component
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| H A D | dm_ls_scf_types.F | 140 TYPE(mixing_storage_type), POINTER :: mixing_store component
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| H A D | qs_scf_methods.F | 94 SUBROUTINE scf_env_density_mixing(p_mix_new, mixing_store, rho_ao, para_env, & argument
97 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_charge_mixing.F | 41 SUBROUTINE charge_mixing(mixing_method, mixing_store, charges, para_env, iter_count) argument
43 TYPE(mixing_storage_type), POINTER :: mixing_store local
119 SUBROUTINE mix_charges_only(mixing_store, charges, alpha, imin, ns, para_env) argument
120 TYPE(mixing_storage_type), POINTER :: mixing_store local
152 SUBROUTINE broyden_mixing(mixing_store, charges, inow, nvec, ns, para_env) argument
153 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| H A D | qs_mixing_utils.F | 113 SUBROUTINE mixing_allocate(qs_env, mixing_method, p_mix_new, p_delta, nspins, mixing_store) argument
119 TYPE(mixing_storage_type), POINTER :: mixing_store local
510 SUBROUTINE mixing_init(mixing_method, rho, mixing_store, para_env, rho_atom) argument
513 TYPE(mixing_storage_type), POINTER :: mixing_store local
789 SUBROUTINE charge_mixing_init(mixing_store) argument
790 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| H A D | qs_density_mixing_types.F | 115 SUBROUTINE mixing_storage_create(mixing_store, mixing_section, mixing_method, ecut) argument
116 TYPE(mixing_storage_type), POINTER :: mixing_store local
231 SUBROUTINE mixing_storage_release(mixing_store) argument
232 TYPE(mixing_storage_type), POINTER :: mixing_store local
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| H A D | qs_gspace_mixing.F | 76 TYPE(mixing_storage_type), POINTER :: mixing_store local
216 SUBROUTINE gmix_potential_only(qs_env, mixing_store, rho, para_env) argument
219 TYPE(mixing_storage_type), POINTER :: mixing_store local
312 SUBROUTINE pulay_mixing(qs_env, mixing_store, rho, para_env) argument
315 TYPE(mixing_storage_type), POINTER :: mixing_store local
566 SUBROUTINE broyden_mixing(qs_env, mixing_store, rho, para_env) argument
569 TYPE(mixing_storage_type), POINTER :: mixing_store local
886 SUBROUTINE broyden_mixing_new(mixing_store, rho, para_env) argument
888 TYPE(mixing_storage_type), POINTER :: mixing_store local
1196 SUBROUTINE multisecant_mixing(mixing_store, rho, para_env) argument
[all …]
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| H A D | qs_scf_types.F | 90 TYPE(mixing_storage_type), POINTER :: mixing_store component
105 TYPE(mixing_storage_type), POINTER :: mixing_store component
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| H A D | dm_ls_scf_types.F | 142 TYPE(mixing_storage_type), POINTER :: mixing_store component
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| H A D | qs_scf_methods.F | 94 SUBROUTINE scf_env_density_mixing(p_mix_new, mixing_store, rho_ao, para_env, & argument
97 TYPE(mixing_storage_type), POINTER :: mixing_store local
|