| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kg_correction.F | 85 TYPE(kg_environment_type), POINTER :: kg_env local
116 SUBROUTINE kg_ekin_embed(qs_env, kg_env, ks_matrix, ekin_mol, calc_force) argument
118 TYPE(kg_environment_type), POINTER :: kg_env local
238 SUBROUTINE kg_ekin_embed_lri(qs_env, kg_env, ks_matrix, ekin_mol, calc_force) argument
240 TYPE(kg_environment_type), POINTER :: kg_env local
404 SUBROUTINE kg_ekin_ri_embed(qs_env, kg_env, ks_matrix, ekin_mol, calc_force) argument
406 TYPE(kg_environment_type), POINTER :: kg_env local
573 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_environment_types.F | 136 SUBROUTINE kg_env_release(kg_env) argument
137 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_environment.F | 108 SUBROUTINE kg_env_create(qs_env, kg_env, qs_kind_set, input) argument
110 TYPE(kg_environment_type), POINTER :: kg_env local
131 SUBROUTINE init_kg_env(qs_env, kg_env, qs_kind_set, input) argument
133 TYPE(kg_environment_type), POINTER :: kg_env local
683 SUBROUTINE kg_build_subsets(kg_env, para_env) argument
684 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_vertex_coloring_methods.F | 66 SUBROUTINE kg_create_graph(kg_env, pairs, graph) argument
67 TYPE(kg_environment_type), POINTER :: kg_env local
345 SUBROUTINE kg_dsatur(kg_env, graph, ncolors) argument
346 TYPE(kg_environment_type), POINTER :: kg_env local
633 SUBROUTINE kg_vertex_coloring(kg_env, pairs, ncolors, color_of_node) argument
634 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | qs_energy_init.F | 163 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_tnadd_mat.F | 81 SUBROUTINE build_tnadd_mat(kg_env, matrix_p, force, virial, calculate_forces, use_virial, & argument
84 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | qs_environment_types.F | 297 TYPE(kg_environment_type), POINTER :: kg_env component
492 …SUBROUTINE get_qs_env(qs_env, atomic_kind_set, qs_kind_set, cell, super_cell, cell_ref, use_ref_ce…
634 TYPE(kg_environment_type), OPTIONAL, POINTER :: kg_env local
1050 … do_transport, transport_env, lri_env, lri_density, dispersion_env, gcp_env, mp2_env, kg_env, & argument
1114 TYPE(kg_environment_type), OPTIONAL, POINTER :: kg_env local
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| H A D | qs_core_hamiltonian.F | 175 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_energy_corrections.F | 140 TYPE(kg_environment_type), POINTER :: kg_env local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | kg_environment_types.F | 132 SUBROUTINE kg_env_release(kg_env) argument
133 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_environment.F | 95 SUBROUTINE kg_env_create(qs_env, kg_env, qs_kind_set, input) argument
97 TYPE(kg_environment_type), POINTER :: kg_env local
118 SUBROUTINE init_kg_env(qs_env, kg_env, qs_kind_set, input) argument
120 TYPE(kg_environment_type), POINTER :: kg_env local
553 SUBROUTINE kg_build_subsets(kg_env, para_env) argument
554 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_correction.F | 110 TYPE(kg_environment_type), POINTER :: kg_env local
145 …SUBROUTINE kg_ekin_embed(qs_env, kg_env, ks_matrix, ekin_mol, calc_force, do_kernel, pmat_ext, alp… argument
147 TYPE(kg_environment_type), POINTER :: kg_env local
331 SUBROUTINE kg_ekin_embed_lri(qs_env, kg_env, ks_matrix, ekin_mol, calc_force) argument
333 TYPE(kg_environment_type), POINTER :: kg_env local
497 SUBROUTINE kg_ekin_ri_embed(qs_env, kg_env, ks_matrix, ekin_mol, calc_force) argument
499 TYPE(kg_environment_type), POINTER :: kg_env local
666 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_vertex_coloring_methods.F | 66 SUBROUTINE kg_create_graph(kg_env, pairs, graph) argument
67 TYPE(kg_environment_type), POINTER :: kg_env local
345 SUBROUTINE kg_dsatur(kg_env, graph, ncolors) argument
346 TYPE(kg_environment_type), POINTER :: kg_env local
633 SUBROUTINE kg_vertex_coloring(kg_env, pairs, ncolors, color_of_node) argument
634 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | qs_energy_init.F | 163 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | kg_tnadd_mat.F | 81 SUBROUTINE build_tnadd_mat(kg_env, matrix_p, force, virial, calculate_forces, use_virial, & argument
84 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | qs_environment_types.F | 303 TYPE(kg_environment_type), POINTER :: kg_env component
504 …SUBROUTINE get_qs_env(qs_env, atomic_kind_set, qs_kind_set, cell, super_cell, cell_ref, use_ref_ce…
648 TYPE(kg_environment_type), OPTIONAL, POINTER :: kg_env local
1081 gcp_env, mp2_env, kg_env, force, & argument
1146 TYPE(kg_environment_type), OPTIONAL, POINTER :: kg_env local
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| H A D | qs_core_hamiltonian.F | 175 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | response_solver.F | 333 TYPE(kg_environment_type), POINTER :: kg_env local
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| H A D | qs_linres_methods.F | 878 TYPE(kg_environment_type), POINTER :: kg_env local
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