| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_o3c_types.F | 75 TYPE(o3c_container_type), POINTER :: o3c component
113 SUBROUTINE init_o3c_container(o3c, nspin, basis_set_list_a, basis_set_list_b, basis_set_list_c, & argument
115 TYPE(o3c_container_type) :: o3c local
330 SUBROUTINE get_o3c_container(o3c, ijsymmetric, nspin, nijpairs, ijpair, & argument
333 TYPE(o3c_container_type) :: o3c local
367 SUBROUTINE o3c_iterator_create(o3c, o3c_iterator, nthread) argument
368 TYPE(o3c_container_type), POINTER :: o3c local
448 TYPE(o3c_container_type), POINTER :: o3c local
500 TYPE(o3c_container_type), POINTER :: o3c local
586 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | qs_o3c_methods.F | 64 SUBROUTINE calculate_o3c_integrals(o3c, calculate_forces, matrix_p) argument
65 TYPE(o3c_container_type), POINTER :: o3c local
336 SUBROUTINE calculate_o3c_libint_integrals(o3c, potential_parameter, para_env, eps_screen) argument
338 TYPE(o3c_container_type), POINTER :: o3c local
634 SUBROUTINE contract12_o3c(o3c, matrix_p) argument
635 TYPE(o3c_container_type), POINTER :: o3c local
716 SUBROUTINE contract3_o3c(o3c, vec, matrix) argument
717 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | ri_environment_methods.F | 430 SUBROUTINE calculate_tvec_ri(lri_env, o3c, para_env) argument
433 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | xas_tdp_kernel.F | 1255 SUBROUTINE contract_o3c_once(o3c, vec, mat_aIb, mat_bIa, atom_k) argument
1256 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | lri_environment_types.F | 324 TYPE(o3c_container_type), POINTER :: o3c component
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| H A D | xas_tdp_utils.F | 1763 TYPE(o3c_container_type), POINTER :: o3c local
1854 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | xas_tdp_atom.F | 881 TYPE(o3c_container_type), POINTER :: o3c local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_o3c_types.F | 75 TYPE(o3c_container_type), POINTER :: o3c component
113 SUBROUTINE init_o3c_container(o3c, nspin, basis_set_list_a, basis_set_list_b, basis_set_list_c, & argument
115 TYPE(o3c_container_type) :: o3c local
330 SUBROUTINE get_o3c_container(o3c, ijsymmetric, nspin, nijpairs, ijpair, & argument
333 TYPE(o3c_container_type) :: o3c local
367 SUBROUTINE o3c_iterator_create(o3c, o3c_iterator, nthread) argument
368 TYPE(o3c_container_type), POINTER :: o3c local
448 TYPE(o3c_container_type), POINTER :: o3c local
500 TYPE(o3c_container_type), POINTER :: o3c local
586 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | qs_o3c_methods.F | 45 SUBROUTINE calculate_o3c_integrals(o3c, calculate_forces, matrix_p) argument
46 TYPE(o3c_container_type), POINTER :: o3c local
313 SUBROUTINE contract12_o3c(o3c, matrix_p) argument
314 TYPE(o3c_container_type), POINTER :: o3c local
395 SUBROUTINE contract3_o3c(o3c, vec, matrix) argument
396 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | ri_environment_methods.F | 430 SUBROUTINE calculate_tvec_ri(lri_env, o3c, para_env) argument
433 TYPE(o3c_container_type), POINTER :: o3c local
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| H A D | lri_environment_types.F | 324 TYPE(o3c_container_type), POINTER :: o3c component
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| H A D | xas_tdp_integrals.F | 305 TYPE(o3c_container_type), POINTER :: o3c local
|