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Searched refs:mat_SinvVSinv (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_util.F145 mat_SinvVSinv, mat_P_omega, mat_P_omega_kp, & argument
182 mat_SinvVSinv local
331 NULLIFY (mat_SinvVSinv%matrix)
332 ALLOCATE (mat_SinvVSinv%matrix)
333 CALL dbcsr_create(mat_SinvVSinv%matrix, template=mat_P_global%matrix)
334 CALL dbcsr_set(mat_SinvVSinv%matrix, 0.0_dp)
341 0.0_dp, mat_SinvVSinv%matrix, filter_eps=eps_filter_im_time)
1065 mat_SinvVSinv, mat_P_omega, mat_P_omega_kp, & argument
1089 TYPE(dbcsr_p_type), INTENT(INOUT) :: mat_dm, mat_L, mat_SinvVSinv local
1146 CALL dbcsr_release(mat_SinvVSinv%matrix)
[all …]
H A Drpa_gw_kpoints.F94 … para_env, kpoints, qs_env, wkp_W, mat_SinvVSinv, do_W_and_not_V) argument
108 TYPE(dbcsr_p_type) :: mat_SinvVSinv local
368 CALL fm_mat_work_global_to_mat_SinvVSinv(mat_SinvVSinv, fm_mat_work_global)
377 CALL fm_mat_work_global_to_mat_SinvVSinv(mat_SinvVSinv, fm_mat_work_global)
402 SUBROUTINE fm_mat_work_global_to_mat_SinvVSinv(mat_SinvVSinv, fm_mat_work_global) argument
404 TYPE(dbcsr_p_type) :: mat_SinvVSinv local
417 CALL dbcsr_create(mat_work%matrix, template=mat_SinvVSinv%matrix)
421 CALL dbcsr_add(mat_SinvVSinv%matrix, mat_work%matrix, 1.0_dp, 1.0_dp)
H A Drpa_main.F1359 mat_SinvVSinv local
1458 mat_SinvVSinv, mat_P_omega, mat_P_omega_kp, &
1818 … kpoints, fm_mat_L, fm_mat_W, fm_mat_RI_global_work, mat_SinvVSinv)
1908 … mo_coeff, fm_mat_W, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, &
1930 … mo_coeff, fm_mat_W, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, &
1948 CALL calculate_ic_correction(Eigenval, mat_SinvVSinv, &
1954 CALL calculate_ic_correction(Eigenval_beta, mat_SinvVSinv, &
1962 CALL calculate_ic_correction(Eigenval, mat_SinvVSinv, &
2028 mat_SinvVSinv, mat_P_omega, mat_P_omega_kp, &
2040 mat_SinvVSinv, mat_P_omega, mat_P_omega_kp, &
H A Drpa_kpoints.F99 fm_mat_RI_global_work, mat_SinvVSinv) argument
124 TYPE(dbcsr_p_type), INTENT(IN) :: mat_SinvVSinv local
183 mat_SinvVSinv, do_W_and_not_V=.FALSE.)
196 mat_SinvVSinv, do_W_and_not_V=.TRUE.)
H A Drpa_gw_ic.F65 SUBROUTINE calculate_ic_correction(Eigenval, mat_SinvVSinv, & argument
72 TYPE(dbcsr_p_type), INTENT(IN) :: mat_SinvVSinv local
120 CALL dbcsr_t_create(mat_SinvVSinv%matrix, t_SinvVSinv_tmp)
121 CALL dbcsr_t_copy_matrix_to_tensor(mat_SinvVSinv%matrix, t_SinvVSinv_tmp)
H A Drpa_gw.F1238 … mo_coeff, fm_mat_W, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, & argument
1278 TYPE(dbcsr_p_type), INTENT(IN) :: mat_dm, mat_SinvVSinv local
1346 mat_W, mat_SinvVSinv, mat_dm, &
1363 mat_W, mat_SinvVSinv, mat_dm, &
4549 mat_W, mat_SinvVSinv, mat_dm, & argument
4571 TYPE(dbcsr_p_type) :: mat_SinvVSinv, mat_dm local
4746 mat_dm%matrix, mat_SinvVSinv%matrix, [1.0_dp, -1.0_dp], &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_gw_ic.F88 SUBROUTINE calculate_ic_correction(Eigenval, mat_SinvVSinv, mat_3c_overl_nnP_ic, & argument
96 TYPE(dbcsr_p_type), INTENT(IN) :: mat_SinvVSinv local
169 CALL dbcsr_get_info(mat_SinvVSinv%matrix, row_blk_size=sizes_RI)
172 CALL dbcsr_t_create(mat_SinvVSinv%matrix, t_SinvVSinv_tmp)
173 CALL dbcsr_t_copy_matrix_to_tensor(mat_SinvVSinv%matrix, t_SinvVSinv_tmp)
207 CALL dbcsr_multiply("N", "N", alpha, mat_SinvVSinv%matrix, &
332 CALL dbcsr_multiply("N", "N", alpha, mat_SinvVSinv%matrix, &
354 … CALL cp_dbcsr_m_by_n_from_row_template(vec_P_occ_dbcsr, template=mat_SinvVSinv%matrix, n=1, &
361 … CALL cp_dbcsr_m_by_n_from_row_template(vec_P_virt_dbcsr, template=mat_SinvVSinv%matrix, n=1, &
H A Drpa_util.F198 …mat_SinvVSinv, mat_M_mu_Pnu_occ, mat_M_mu_Pnu_virt, mat_P_omega, mat_P_omega_kp, mat_dm_loc_occ_cu…
258 mat_SinvVSinv local
587 NULLIFY (mat_SinvVSinv%matrix)
588 ALLOCATE (mat_SinvVSinv%matrix)
589 CALL dbcsr_create(mat_SinvVSinv%matrix, template=mat_P_global%matrix)
590 CALL dbcsr_set(mat_SinvVSinv%matrix, 0.0_dp)
597 0.0_dp, mat_SinvVSinv%matrix, filter_eps=eps_filter_im_time)
1830 …mat_P_global_copy, mat_SinvVSinv, mat_M_mu_Pnu_occ, mat_M_mu_Pnu_virt, mat_P_omega, mat_P_omega_kp… argument
1868 mat_SinvVSinv local
1947 CALL dbcsr_release(mat_SinvVSinv%matrix)
[all …]
H A Drpa_kpoints.F99 fm_mat_RI_global_work, mat_SinvVSinv) argument
124 TYPE(dbcsr_p_type), INTENT(IN) :: mat_SinvVSinv local
183 mat_SinvVSinv, do_W_and_not_V=.FALSE.)
196 mat_SinvVSinv, do_W_and_not_V=.TRUE.)
H A Drpa_main.F1500 mat_SinvVSinv local
1603 …mat_SinvVSinv, mat_M_mu_Pnu_occ, mat_M_mu_Pnu_virt, mat_P_omega, mat_P_omega_kp, mat_dm_loc_occ_cu…
2012 … kpoints, fm_mat_L, fm_mat_W_tau, fm_mat_RI_global_work, mat_SinvVSinv)
2111 … mo_coeff, fm_mat_W_tau, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, &
2136 … mo_coeff, fm_mat_W_tau, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, &
2158 CALL calculate_ic_correction(Eigenval, mat_SinvVSinv, mat_3c_overl_nnP_ic, &
2165 CALL calculate_ic_correction(Eigenval_beta, mat_SinvVSinv, mat_3c_overl_nnP_ic_beta, &
2174 CALL calculate_ic_correction(Eigenval, mat_SinvVSinv, mat_3c_overl_nnP_ic, &
2241 … mat_M_P_munu_virt, mat_P_global_copy, mat_SinvVSinv, mat_M_mu_Pnu_occ, mat_M_mu_Pnu_virt, &
2255 … mat_M_P_munu_virt, mat_P_global_copy, mat_SinvVSinv, mat_M_mu_Pnu_occ, mat_M_mu_Pnu_virt, &
H A Drpa_gw_kpoints.F108 … para_env, kpoints, qs_env, wkp_W, mat_SinvVSinv, do_W_and_not_V) argument
122 TYPE(dbcsr_p_type) :: mat_SinvVSinv local
382 CALL fm_mat_work_global_to_mat_SinvVSinv(mat_SinvVSinv, fm_mat_work_global)
391 CALL fm_mat_work_global_to_mat_SinvVSinv(mat_SinvVSinv, fm_mat_work_global)
416 SUBROUTINE fm_mat_work_global_to_mat_SinvVSinv(mat_SinvVSinv, fm_mat_work_global) argument
418 TYPE(dbcsr_p_type) :: mat_SinvVSinv local
431 CALL dbcsr_create(mat_work%matrix, template=mat_SinvVSinv%matrix)
435 CALL dbcsr_add(mat_SinvVSinv%matrix, mat_work%matrix, 1.0_dp, 1.0_dp)
H A Drpa_gw.F1481 … mo_coeff, fm_mat_W_tau, para_env, para_env_RPA, mat_dm, mat_SinvVSinv, & argument
1521 TYPE(dbcsr_p_type), INTENT(IN) :: mat_dm, mat_SinvVSinv local
1596 … mat_contr_W, mat_W, mat_SinvVSinv, mat_dm, stabilize_exp, &
1615 … mat_contr_W, mat_W, mat_SinvVSinv, mat_dm, stabilize_exp, &
4883 mat_W, mat_SinvVSinv, mat_dm, stabilize_exp, & argument
4908 TYPE(dbcsr_p_type) :: mat_SinvVSinv, mat_dm local
5141 mat_dm%matrix, mat_SinvVSinv%matrix, [1.0_dp, -1.0_dp], &
5159 …CALL dbcsr_multiply("N", "N", 1.0_dp, mat_SinvVSinv%matrix, mat_3c_overl_int_gw(n_level_gw)%matrix…