Searched refs:tau_wj (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_grids.F | 88 INTENT(OUT) :: tau_tj, tau_wj local 220 ALLOCATE (tau_wj(num_integ_points)) 221 tau_wj = 0.0_dp 225 tau_wj(jquad) = x_tw(jquad + num_integ_points)/scaling 239 WRITE (UNIT=unit_nr, FMT="(T41,F20.10,F20.10)") tau_wj(jquad), tau_tj(jquad) 246 tau_wj(:) = tau_wj(:)/Emin 1203 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tau_tj, tau_wj, tj, wj, x_tw local 1218 ALLOCATE (tau_wj(num_integ_points)) 1219 tau_wj = 0.0_dp 1243 tau_wj(jquad) = x_tw(jquad + num_integ_points)/2.0_dp [all …]
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H A D | rpa_main.F | 1343 Eigenval_scf, Eigenval_scf_beta, tau_tj, tau_wj, tj, trace_Qomega, vec_omega_fit_gw, & local 1509 … do_ri_sos_laplace_mp2,.NOT. do_ic_model, tau_tj, tau_wj, qs_env, do_gw_im_time, & 1515 … do_ri_sos_laplace_mp2,.NOT. do_ic_model, tau_tj, tau_wj, qs_env, do_gw_im_time, & 1806 CALL SOS_MP2_postprocessing(fm_mat_Q, Erpa, tau_wj(jquad), fm_mat_Q_beta) 1808 CALL SOS_MP2_postprocessing(fm_mat_Q, Erpa, tau_wj(jquad)) 2075 DEALLOCATE (tau_wj)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_weights.F | 86 INTENT(OUT) :: tau_tj, tau_wj local 206 ALLOCATE (tau_wj(num_integ_points)) 207 tau_wj = 0.0_dp 211 tau_wj(jquad) = x_tw(jquad + num_integ_points)/scaling 225 WRITE (UNIT=unit_nr, FMT="(T41,F20.10,F20.10)") tau_wj(jquad), tau_tj(jquad) 232 tau_wj(:) = tau_wj(:)/Emin 1195 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tau_tj, tau_wj, tj, wj, x_tw local 1210 ALLOCATE (tau_wj(num_integ_points)) 1211 tau_wj = 0.0_dp 1235 tau_wj(jquad) = x_tw(jquad + num_integ_points)/2.0_dp [all …]
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H A D | rpa_main.F | 1483 Eigenval_scf, Eigenval_scf_beta, tau_tj, tau_wj, tj, trace_Qomega, vec_omega_fit_gw, & local 1668 … do_im_time, do_ri_sos_laplace_mp2,.NOT. do_ic_model, tau_tj, tau_wj, qs_env, do_gw_im_time, & 1674 … do_im_time, do_ri_sos_laplace_mp2,.NOT. do_ic_model, tau_tj, tau_wj, qs_env, do_gw_im_time, & 2000 CALL SOS_MP2_postprocessing(fm_mat_Q, Erpa, tau_wj(jquad), fm_mat_Q_beta) 2002 CALL SOS_MP2_postprocessing(fm_mat_Q, Erpa, tau_wj(jquad)) 2299 DEALLOCATE (tau_wj)
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