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Searched refs:fm_mo_coeff_occ (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_main.F228 fm_mat_S_ij_bse, fm_mo_coeff_occ, fm_mo_coeff_occ_beta, fm_mo_coeff_virt, & local
574 fm_mo_coeff_occ=fm_mo_coeff_occ, fm_mo_coeff_virt=fm_mo_coeff_virt, &
586 fm_mo_coeff_occ=fm_mo_coeff_occ, fm_mo_coeff_virt=fm_mo_coeff_virt, &
898 fm_scaled_dm_virt_tau, mo_coeff, fm_mo_coeff_occ, & argument
916 fm_scaled_dm_virt_tau, mo_coeff, fm_mo_coeff_occ, fm_mo_coeff_virt local
1127 CALL create_occ_virt_mo_coeffs(fm_mo_coeff_occ, fm_mo_coeff_virt, mo_coeff, &
1162 CALL cp_fm_create(fm_mo_coeff_occ, mo_coeff%matrix_struct)
1163 CALL cp_fm_set_all(fm_mo_coeff_occ, 0.0_dp)
1164 CALL cp_fm_to_fm(mo_coeff, fm_mo_coeff_occ)
1169 CALL cp_fm_set_element(fm_mo_coeff_occ, irow_global, icol_global, 0.0_dp)
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H A Drpa_util.F132 fm_mat_Q, fm_mo_coeff_occ, fm_mo_coeff_virt, & argument
152 TYPE(cp_fm_type), POINTER :: fm_mat_Q, fm_mo_coeff_occ, & local
270 CALL cp_fm_create(fm_mo_coeff_occ_scaled, fm_mo_coeff_occ%matrix_struct)
271 CALL cp_fm_to_fm(fm_mo_coeff_occ, fm_mo_coeff_occ_scaled)
1058 SUBROUTINE dealloc_im_time(do_ri_sos_laplace_mp2, fm_mo_coeff_occ, fm_mo_coeff_virt, & argument
1071 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, & local
1114 CALL cp_fm_release(fm_mo_coeff_occ)
H A Drpa_im_time.F113 fm_scaled_dm_virt_tau, fm_mo_coeff_occ, fm_mo_coeff_virt, & argument
130 TYPE(cp_fm_type), POINTER :: fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, fm_mo_coeff_occ, & local
270 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, &
676 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & argument
690 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, & local
737 CALL cp_fm_get_info(matrix=fm_mo_coeff_occ, &
756 … fm_mo_coeff_occ%local_data(jjB, iiB)*EXP(tau*0.5_dp*(Eigenval(i_global) - e_fermi))
H A Drpa_gw.F1236 … fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, fm_mo_coeff_occ, & argument
1275 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, mo_coeff local
1339 … matrix_s, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, &
4542 … matrix_s, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & argument
4559 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & local
4668 fm_mo_coeff_occ, fm_mo_coeff_virt, &
4732 matrix_a=fm_mo_coeff_occ, matrix_b=fm_mo_coeff_occ, beta=0.0_dp, &
5041 …SUBROUTINE compute_Greens_function_time(mat_greens_fct_occ, mat_greens_fct_virt, fm_mo_coeff_occ, … argument
5047 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & local
5064 CALL cp_fm_get_info(matrix=fm_mo_coeff_occ, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_main.F256 fm_mat_S_ij_bse, fm_mo_coeff_occ, fm_mo_coeff_occ_beta, fm_mo_coeff_virt, & local
575 fm_mo_coeff_occ=fm_mo_coeff_occ, fm_mo_coeff_virt=fm_mo_coeff_virt, &
588 fm_mo_coeff_occ=fm_mo_coeff_occ, fm_mo_coeff_virt=fm_mo_coeff_virt, &
906 fm_scaled_dm_virt_tau, mo_coeff, fm_mo_coeff_occ, & argument
924 fm_scaled_dm_virt_tau, mo_coeff, fm_mo_coeff_occ, fm_mo_coeff_virt local
1206 CALL cp_fm_create(fm_mo_coeff_occ, mo_coeff%matrix_struct)
1207 CALL cp_fm_set_all(fm_mo_coeff_occ, 0.0_dp)
1208 CALL cp_fm_to_fm(mo_coeff, fm_mo_coeff_occ)
1213 CALL cp_fm_set_element(fm_mo_coeff_occ, irow_global, icol_global, 0.0_dp)
1384 do_minimax_quad, do_im_time, do_mao, fm_mo_coeff_occ, & argument
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H A Drpa_util.F181 fm_mat_Q, do_mao, fm_mo_coeff_occ, fm_mo_coeff_virt, & argument
208 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt local
515 CALL cp_fm_create(fm_mo_coeff_occ_scaled, fm_mo_coeff_occ%matrix_struct)
516 CALL cp_fm_to_fm(fm_mo_coeff_occ, fm_mo_coeff_occ_scaled)
1823 …SUBROUTINE dealloc_im_time(do_mao, do_dbcsr_t, do_ri_sos_laplace_mp2, fm_mo_coeff_occ, fm_mo_coeff… argument
1837 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, & local
1898 CALL cp_fm_release(fm_mo_coeff_occ)
H A Drpa_im_time.F121 fm_scaled_dm_virt_tau, fm_mo_coeff_occ, fm_mo_coeff_virt, & argument
137 TYPE(cp_fm_type), POINTER :: fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, fm_mo_coeff_occ, & local
256 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, &
682 fm_scaled_dm_virt_tau, fm_mo_coeff_occ, fm_mo_coeff_virt, & argument
709 TYPE(cp_fm_type), POINTER :: fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, fm_mo_coeff_occ, & local
779 fm_scaled_dm_virt_tau, fm_mo_coeff_occ, fm_mo_coeff_virt, &
807 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, &
2192 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & argument
2206 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, & local
2261 CALL cp_fm_get_info(matrix=fm_mo_coeff_occ, &
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H A Drpa_gw.F1479 fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, fm_mo_coeff_occ, & argument
1518 fm_mo_coeff_occ, fm_mo_coeff_virt, fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, mo_coeff local
1590 … matrix_s, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, &
4877 … matrix_s, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & argument
4894 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & local
4992 …e_Greens_function(mat_greens_fct_occ, mat_greens_fct_virt, matrix_s, fm_mo_coeff_occ, fm_mo_coeff_…
5126 matrix_a=fm_mo_coeff_occ, matrix_b=fm_mo_coeff_occ, beta=0.0_dp, &
5452 …e_Greens_function(mat_greens_fct_occ, mat_greens_fct_virt, matrix_s, fm_mo_coeff_occ, fm_mo_coeff_… argument
5459 TYPE(cp_fm_type), POINTER :: fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, & local
5489 CALL cp_fm_get_info(matrix=fm_mo_coeff_occ, &
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