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Searched refs:selected_func (Results 1 – 25 of 27) sorted by relevance

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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfunctionals.c217 ok = selected_func->read ? in fun_select_by_name()
275 { return selected_func->is_gga(); } in funisgga()
278 { return selected_func->is_gga(); } in funisgga_()
282 { return selected_func->func(dp); } in funenergy()
285 { return selected_func->func(dp); } in funenergy_()
289 { selected_func->first(df, *factor, dp); } in funfirst()
305 selected_func->name); in dftreport_()
306 if(selected_func->report) in dftreport_()
307 selected_func->report(); in dftreport_()
322 { return selected_func->is_gga(); } in dft_isgga_()
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H A Dgeneral.c146 return selected_func->func(&dp); in dftene_()
160 selected_func->first(&drvs, *wght, &dp); in dftptf0_()
201 selected_func->second(&drvs, *wght, &dp); in dftptfh_()
226 selected_func->first(&drvs, *weight, dp); in dftpot0_()
240 selected_func->second(&drvs, *w, dp); in dftpot1_()
276 selected_func->third(&drvs, factor, dp); in dftpot2_()
343 selected_func->fourth(&drvs, *factor, dp); in dftpot3ab_()
508 selected_func->first(&drvs, *wght, &dp); in vxcfab_()
H A Dprop-eval.c1018 (DftCallback)(selected_func->is_gga() ? in FSYM2()
1201 data->energy += selected_func->func(&dp)*weight; in kohn_sham_cb_b_lda()
1230 data->energy += selected_func->func(&dp)*weight; in kohn_sham_cb_b_gga()
1738 data->energy += selected_func->func(&dp)*weight; in kohn_shamab_cb_b_lda()
1740 selected_func->first(&drvs, weight, &dp); in kohn_shamab_cb_b_lda()
1780 data->energy += selected_func->func(&dp)*weight; in kohn_shamab_cb_b_gga()
1782 selected_func->first(&drvs, weight, &dp); in kohn_shamab_cb_b_gga()
1975 selected_func->second(&vxc,weight,&dp); in lin_resp_cb_b_lda_ab()
2078 selected_func->second(&vxc,weight,&dp); in lin_resp_cb_b_gga_ab()
2225 if (selected_func->is_gga()) { in FSYM2()
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H A Dintegrator.c138 grid->dogga = selected_func->is_gga(); in dft_grid_new()
468 grid = dft_integrator_bl_new(selected_func, ndmat, in dft_integrate_ao_bl()
H A Dquad-open.c120 selected_func->third(&vxc,weight,&dp); in quad_open_lda_cb()
323 selected_func->third(&vxc,weight,&dp); in quad_open_gga_cb()
832 if(selected_func->is_gga()) { in quad_open_init()
863 if(selected_func->is_gga()) { in quad_open_init()
871 if(selected_func->is_gga()) { in quad_open_init()
1075 (DftBlockCallback)(selected_func->is_gga() ? in FSYM2()
H A Dfunctionals.h275 extern Functional *selected_func;
/dports/science/ergo/ergo-3.8/source/dft/
H A Dfunctionals.c106 Functional* selected_func = &LDAFunctional; variable
122 selected_func = available_functionals[i]; in fun_select_by_name()
123 ok = selected_func->read ? in fun_select_by_name()
124 selected_func->read(conf_string+strlen(func_name)) : 1; in fun_select_by_name()
167 selected_func->name); in dftreport_()
168 if(selected_func->report) in dftreport_()
169 selected_func->report(); in dftreport_()
193 { return selected_func->is_gga(); } in dft_isgga_()
197 { return selected_func->is_gga(); } in dft_isgga__()
H A Dxc_evaluators.h113 data->energy += selected_func->func(&dp)*weight; in xcCallbackLdaR()
203 data->energy += selected_func->func(&dp)*weight; in xcCallbackGgaR()
335 d->energy += selected_func->func(&dp)*weight; in xcCallbackLdaU()
337 selected_func->first(&drvs, weight, &dp); in xcCallbackLdaU()
381 d->energy += selected_func->func(&dp)*weight; in xcCallbackGgaU()
383 selected_func->first(&drvs, weight, &dp); in xcCallbackGgaU()
H A Ddft_common.cc746 return selected_func->func(&dp); in dftene_()
760 selected_func->first(&drvs, *wght, &dp); in dftptf0_()
770 selected_func->first(&drvs, *weight, dp); in dftpot0_()
784 selected_func->second(&drvs, *w, dp); in dftpot1_()
821 selected_func->third(&drvs, factor, dp); in dftpot2_()
887 selected_func->fourth(&drvs, *factor, dp); in dftpot3ab_()
H A Dxc_matrix_sparse.cc216 (selected_func->is_gga() ? cbgga : cblda), in getXC()
376 bool isGGA = selected_func->is_gga(); in getXC()
H A Dintegrator.cc206 grid = dft_integrator_bl_new(selected_func, ndmat, in dft_integrate()
H A Dxc_matrix.cc267 bool isGGA = selected_func->is_gga(); in dft_get_xc()
456 bool isGGA = selected_func->is_gga(); in dft_get_uxc()
H A Dfunctionals.h365 extern Functional *selected_func;
H A Dlin_trans.cc275 (selected_func->is_gga() ? in dft_lin_respao()
H A Dfun-cam.c1369 if(selected_func == &CamFunctional || in fun_get_cam_param()
1370 selected_func == &Camb3lypFunctional || in fun_get_cam_param()
1371 selected_func == &HseFunctional) { in fun_get_cam_param()
1375 *mu = selected_func == &HseFunctional in fun_get_cam_param()
H A Dgrid_hicu.cc784 energy += selected_func->func(&dp)*weight; in callbackGga()
796 energy += selected_func->func(&dp)*weight; in callbackLda()
862 if(selected_func->is_gga()) in integrate_density_and_energy()
1796 paramsStruct.dftIntegrator = dft_integrator_bl_new(selected_func, ndmat, in compute_grid_thread_func()
/dports/science/ergo/ergo-3.8/source/test/
H A Dxcmat_test.cc149 selected_func->is_gga() ? "GGA" : "LDA", functional); in test_small()
169 selected_func->is_gga() ? "GGA" : "LDA", functional, in test_small()
186 selected_func->is_gga() ? "GGA" : "LDA", in test_small()
324 selected_func->is_gga() ? "GGA" : "LDA", in test_mol()
H A Dxcmat_r_u_test.cc140 selected_func->is_gga() ? "GGA" : "LDA", functional); in test_small()
160 selected_func->is_gga() ? "GGA" : "LDA", functional, in test_small()
179 selected_func->is_gga() ? "GGA" : "LDA", in test_small()
H A Dxcmat_nan_inf_test.cc185 selected_func->is_gga() ? "GGA" : "LDA", functional); in test_small()
209 selected_func->is_gga() ? "GGA" : "LDA", functional, in test_small()
226 selected_func->is_gga() ? "GGA" : "LDA", in test_small()
/dports/audio/exaile/exaile-4.1.1/xlgui/widgets/
H A Dmenu.py148 def radio_menu_item(name, after, display_name, groupname, selected_func, callback): argument
170 active = selected_func(name, parent, context)
/dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/net/ethernet/amazon/ena/
H A Dena_admin_defs.h734 u32 selected_func; member
H A Dena_com.c2338 cmd.u.flow_hash_func.selected_func = 1 << rss->hash_func; in ena_com_set_hash_function()
2446 rss->hash_func = ffs(get_resp.u.flow_hash_func.selected_func); in ena_com_get_hash_function()
/dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/net/ethernet/amazon/ena/
H A Dena_admin_defs.h734 u32 selected_func; member
H A Dena_com.c2338 cmd.u.flow_hash_func.selected_func = 1 << rss->hash_func; in ena_com_set_hash_function()
2446 rss->hash_func = ffs(get_resp.u.flow_hash_func.selected_func); in ena_com_get_hash_function()
/dports/multimedia/libv4l/linux-5.13-rc2/drivers/net/ethernet/amazon/ena/
H A Dena_admin_defs.h734 u32 selected_func; member

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