Searched refs:rho_ao_resp (Results 1 – 3 of 3) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xc_adiabatic_utils.F | 87 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 D | hfx_admm_utils.F | 347 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 D | hfx_derivatives.F | 113 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…
|