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Searched refs:rho_ao_resp (Results 1 – 3 of 3) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxc_adiabatic_utils.F87 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_ao_resp local
97 input, xc_section, rho_xc, ks_env, rho_ao, rho_ao_resp)
150 CALL derivatives_four_center(qs_env, rho_ao, rho_ao_resp, hfx_sections, &
153 CALL derivatives_four_center(qs_env, rho_ao, rho_ao_resp, hfx_sections, &
H A Dhfx_admm_utils.F347 matrix_ks_aux_fit_hfx, matrix_ks_aux_fit_im, matrix_ks_im, rho_ao_1d, rho_ao_resp local
480 CALL get_qs_env(qs_env, matrix_p_mp2=rho_ao_resp)
482 NULLIFY (rho_ao_resp)
484 CALL derivatives_four_center(qs_env, rho_ao_orb, rho_ao_resp, hfx_sections, &
546 NULLIFY (rho_ao_resp)
547 CALL derivatives_four_center(qs_env, rho_ao_orb, rho_ao_resp, hfx_sections, &
H A Dhfx_derivatives.F113 SUBROUTINE derivatives_four_center(qs_env, rho_ao, rho_ao_resp, hfx_section, para_env, & argument
118 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_ao_resp local
225 IF (ASSOCIATED(rho_ao_resp)) with_resp_density = .TRUE.
503 …CALL get_full_density(para_env, full_density_resp, rho_ao_resp(1)%matrix, shm_number_of_p_entries,…
519 …CALL get_full_density(para_env, full_density_resp_beta, rho_ao_resp(2)%matrix, shm_number_of_p_ent…