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Searched refs:rho_orb_struct_sub (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_tddfpt2_fhxc.F96 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, &
H A Dqs_tddfpt2_types.F164 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)
H A Dqs_tddfpt2_methods.F203 … 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, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_tddfpt2_methods.F244 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, &
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