Searched refs:rho_orb_struct_sub (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_tddfpt2_fhxc.F | 96 CALL qs_rho_get(work_matrices%rho_orb_struct_sub, rho_ao=rho_ia_ao, & 138 CALL qs_rho_update_rho(work_matrices%rho_orb_struct_sub, qs_env, & 153 rho_ia_struct=work_matrices%rho_orb_struct_sub, & 159 CALL tddfpt_construct_aux_fit_density(rho_orb_struct=work_matrices%rho_orb_struct_sub, &
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H A D | qs_tddfpt2_types.F | 164 TYPE(qs_rho_type), POINTER :: rho_orb_struct_sub component 394 NULLIFY (work_matrices%rho_orb_struct_sub) 395 CALL qs_rho_create(work_matrices%rho_orb_struct_sub) 396 CALL qs_rho_set(work_matrices%rho_orb_struct_sub, rho_ao=rho_ia_ao) 397 CALL qs_rho_rebuild(work_matrices%rho_orb_struct_sub, qs_env, rebuild_ao=.FALSE., & 581 NULLIFY (work_matrices%rho_orb_struct_sub) 644 CALL qs_rho_release(work_matrices%rho_orb_struct_sub)
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H A D | qs_tddfpt2_methods.F | 203 … CALL tddfpt_construct_ground_state_orb_density(rho_orb_struct=work_matrices%rho_orb_struct_sub, & 211 rho_struct_sub=work_matrices%rho_orb_struct_sub, & 215 CALL tddfpt_construct_aux_fit_density(rho_orb_struct=work_matrices%rho_orb_struct_sub, & 231 rho_struct_sub=work_matrices%rho_orb_struct_sub, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_tddfpt2_methods.F | 244 TYPE(qs_rho_type), POINTER :: rho_orb_struct_sub component 484 rho_struct_sub=work_matrices%rho_orb_struct_sub, & 488 CALL tddfpt_construct_aux_fit_density(rho_orb_struct=work_matrices%rho_orb_struct_sub, & 501 rho_struct_sub=work_matrices%rho_orb_struct_sub, & 799 NULLIFY (work_matrices%rho_orb_struct_sub) 800 CALL qs_rho_create(work_matrices%rho_orb_struct_sub) 801 CALL qs_rho_set(work_matrices%rho_orb_struct_sub, rho_ao=rho_ia_ao) 802 CALL qs_rho_rebuild(work_matrices%rho_orb_struct_sub, qs_env, rebuild_ao=.FALSE., & 918 CALL qs_rho_release(work_matrices%rho_orb_struct_sub) 2309 CALL qs_rho_update_rho(work_matrices%rho_orb_struct_sub, qs_env, & [all …]
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