QuAcK documentation
Fortran source index¶
Source revision 3db06be627eb1ca3c5d20c7428aa74380dfa705a
ADC¶
src/ADC/G_31_MCDE.f90—G_31_MCDEsrc/ADC/G_31_SMCDE.f90—G_31_SMCDEsrc/ADC/G_ADC.f90—G_ADCsrc/ADC/G_ADC3_G3W2_diag.f90—G_ADC3_G3W2_diagsrc/ADC/G_ADC_2SOSEX_diag.f90—G_ADC_2SOSEX_diagsrc/ADC/G_ADC_Parquet_diag.f90—G_ADC_Parquet_diag,Gamma_eh,Gamma_ppsrc/ADC/G_G3W2.f90—G_G3W2src/ADC/G_G3W2_self_energy_diag.f90—G_G3W2_self_energy_diagsrc/ADC/G_IPEA_ADC2.f90—G_IPEA_ADC2src/ADC/G_IPEA_ADC2_diag.f90—G_IPEA_ADC2_diagsrc/ADC/G_IPEA_ADC3.f90—G_IPEA_ADC3src/ADC/G_psdG3W2.f90—G_psdG3W2src/ADC/G_psdG3W2_self_energy_diag.f90—G_psdG3W2_self_energy_diagsrc/ADC/R_2SOSEX_psd.f90—R_2SOSEX_psdsrc/ADC/R_2SOSEX_psd_excitation_density.f90—R_2SOSEX_psd_excitation_densitysrc/ADC/R_31_MCDE.f90—R_31_MCDEsrc/ADC/R_31_SMCDE.f90—R_31_SMCDEsrc/ADC/R_ADC.f90—R_ADCsrc/ADC/R_ADC3_G3W2.f90—R_ADC3_G3W2src/ADC/R_ADC3_G3W2_diag.f90—R_ADC3_G3W2_diagsrc/ADC/R_ADC3x_G3W2.f90—R_ADC3x_G3W2src/ADC/R_ADC3x_G3W2_diag.f90—R_ADC3x_G3W2_diagsrc/ADC/R_ADC4_G3W2_diag_fullmat.f90—R_ADC4_G3W2_diag_fullmatsrc/ADC/R_ADC_2SOSEX.f90—R_ADC_2SOSEXsrc/ADC/R_ADC_2SOSEX_diag.f90—R_ADC_2SOSEX_diagsrc/ADC/R_ADC_G3W2.f90—R_ADC_G3W2src/ADC/R_ADC_G3W2_diag.f90—R_ADC_G3W2_diagsrc/ADC/R_ADC_GW.f90—R_ADC_GWsrc/ADC/R_ADC_GW_diag.f90—R_ADC_GW_diagsrc/ADC/R_ADC_Parquet_diag.f90—R_ADC_Parquet_diag,V_eh_sing_X,G_eh_sing_X,V_eh_trip_X,G_eh_trip_X,V_pp_sing,G_pp_sing,V_pp_trip,G_pp_tripsrc/ADC/R_G3W2.f90—R_G3W2src/ADC/R_G3W2_QP_graph.f90—R_G3W2_QP_graphsrc/ADC/R_G3W2_self_energy_diag.f90—R_G3W2_self_energy_diagsrc/ADC/R_G3W2_self_energy_diag_omega.f90—R_G3W2_self_energy_diag_omegasrc/ADC/R_IPEA_ADC2.f90—R_IPEA_ADC2src/ADC/R_IPEA_ADC2_diag.f90—R_IPEA_ADC2_diagsrc/ADC/R_IPEA_ADC3.f90—R_IPEA_ADC3src/ADC/R_IPEA_ADC3_diag.f90—R_IPEA_ADC3_diagsrc/ADC/R_IP_ADC2.f90—R_IP_ADC2src/ADC/R_IP_ADC2_diag.f90—R_IP_ADC2_diagsrc/ADC/R_IP_ADC_2SOSEX.f90—R_IP_ADC_2SOSEXsrc/ADC/R_IP_ADC_GW.f90—R_IP_ADC_GWsrc/ADC/R_IP_ADC_GW_diag.f90—R_IP_ADC_GW_diagsrc/ADC/R_IP_GW.f90—R_IP_GWsrc/ADC/R_IP_half_GW.f90—R_IP_half_GWsrc/ADC/R_IP_static_GW.f90—R_IP_static_GWsrc/ADC/R_SOSEX.f90—R_SOSEXsrc/ADC/R_SOSEX_QP_graph.f90—R_SOSEX_QP_graphsrc/ADC/R_SOSEX_Re_SigC.f90—R_SOSEX_Re_SigCsrc/ADC/R_SOSEX_Re_dSigC.f90—R_SOSEX_Re_dSigCsrc/ADC/R_SOSEX_SRG_Re_SigC.f90—R_SOSEX_SRG_Re_SigCsrc/ADC/R_SOSEX_SRG_Re_dSigC.f90—R_SOSEX_SRG_Re_dSigCsrc/ADC/R_SOSEX_SRG_self_energy_diag.f90—R_SOSEX_SRG_self_energy_diagsrc/ADC/R_SOSEX_excitation_density.f90—R_SOSEX_excitation_densitysrc/ADC/R_SOSEX_self_energy_diag.f90—R_SOSEX_self_energy_diagsrc/ADC/R_diag_half_GW.f90—R_diag_half_GWsrc/ADC/R_diag_static_GW.f90—R_diag_static_GWsrc/ADC/R_half_GW.f90—R_half_GWsrc/ADC/R_linDM_2SOSEX.f90—R_linDM_2SOSEXsrc/ADC/R_linDM_ADC3.f90—R_linDM_ADC3src/ADC/R_psdG3W2.f90—R_psdG3W2src/ADC/R_psdG3W2_QP_graph.f90—R_psdG3W2_QP_graphsrc/ADC/R_psdG3W2_plot_self_energy.f90—R_psdG3W2_plot_self_energysrc/ADC/R_psdG3W2_self_energy_diag.f90—R_psdG3W2_self_energy_diagsrc/ADC/R_psdG3W2_self_energy_diag_omega.f90—R_psdG3W2_self_energy_diag_omegasrc/ADC/R_psdG3W2_self_energy_iieta.f90—R_psdG3W2_self_energy_iietasrc/ADC/R_static_GW.f90—R_static_GWsrc/ADC/print_G_G3W2.f90—print_G_G3W2src/ADC/print_R_2SOSEX.f90—print_R_2SOSEXsrc/ADC/print_R_2SOSEX_psd.f90—print_R_2SOSEX_psdsrc/ADC/print_R_G3W2.f90—print_R_G3W2src/ADC/print_R_SOSEX.f90—print_R_SOSEX
AOtoMO¶
src/AOtoMO/AOtoMO.f90—AOtoMOsrc/AOtoMO/AOtoMO_ERI_GHF.f90—AOtoMO_ERI_GHFsrc/AOtoMO/AOtoMO_ERI_RHF.f90—AOtoMO_ERI_RHFsrc/AOtoMO/AOtoMO_ERI_UHF.f90—AOtoMO_ERI_UHFsrc/AOtoMO/AOtoMO_GHF.f90—AOtoMO_GHFsrc/AOtoMO/Hartree_matrix_AO_basis.f90—Hartree_matrix_AO_basis,Hartree_matrix_AO_basis_hpcsrc/AOtoMO/MOtoAO.f90—MOtoAOsrc/AOtoMO/MOtoAO_GHF.f90—MOtoAO_GHFsrc/AOtoMO/MOtoQP_ERI_HFB.f90—ERI_MO2QP_H40,ERI_MO2QP_H40_2,ERI_MO2QP_H40_3,ERI_MO2QP_H40_4,ERI_MO2QP_H40_5,ERI_MO2QP_H40_6,ERI_MO2QP_H04,ERI_MO2QP_H04_2,ERI_MO2QP_H04_3,ERI_MO2QP_H04_4,ERI_MO2QP_H04_5,ERI_MO2QP_H04_6,ERI_MO2QP_H22,ERI_MO2QP_H22_2,ERI_MO2QP_H22_3,ERI_MO2QP_H22_4,ERI_MO2QP_H22_5,ERI_MO2QP_H22_6src/AOtoMO/anomalous_matrix_AO_basis.f90—anomalous_matrix_AO_basissrc/AOtoMO/complex_AOtoMO.f90—complex_AOtoMOsrc/AOtoMO/complex_AOtoMO_ERI_RHF.f90—complex_AOtoMO_ERI_RHFsrc/AOtoMO/complex_AOtoMO_ERI_UHF.f90—complex_AOtoMO_ERI_UHFsrc/AOtoMO/complex_Hartree_matrix_AO_basis.f90—complex_Hartree_matrix_AO_basissrc/AOtoMO/complex_MOtoAO.f90—complex_MOtoAOsrc/AOtoMO/complex_complex_AOtoMO.f90—complex_complex_AOtoMOsrc/AOtoMO/complex_exchange_matrix_AO_basis.f90—complex_exchange_matrix_AO_basissrc/AOtoMO/exchange_matrix_AO_basis.f90—exchange_matrix_AO_basis,exchange_matrix_AO_basis_hpc
CC¶
src/CC/CCD.f90—CCDsrc/CC/CCD_correlation_energy.f90—CCD_correlation_energysrc/CC/CCSD.f90—CCSDsrc/CC/CCSDT.f90—CCSDTsrc/CC/CCSD_Ec_nc.f90—CCSD_Ec_ncsrc/CC/CCSD_correlation_energy.f90—CCSD_correlation_energysrc/CC/DCD.f90—DCDsrc/CC/DEA_EOM_CCD_2p.f90—DEA_EOM_CCD_2psrc/CC/DIP_EOM_CCD_2h.f90—DIP_EOM_CCD_2hsrc/CC/EE_EOM_CCD_1h1p.f90—EE_EOM_CCD_1h1psrc/CC/GCC.f90—GCCsrc/CC/GCCD.f90—GCCDsrc/CC/GCCSD.f90—GCCSDsrc/CC/MP3_correlation_energy.f90—MP3_correlation_energysrc/CC/RCC.f90—RCCsrc/CC/R_CCD.f90—R_CCD,R_CCD_amplitudes,RCCD_guess,RCCD_correlation_energy,form_RCCD_residualsrc/CC/antisymmetrize_ERI.f90—antisymmetrize_ERIsrc/CC/crCCD.f90—crCCDsrc/CC/crGCCD.f90—crGCCDsrc/CC/drCCD.f90—drCCDsrc/CC/drGCCD.f90—drGCCDsrc/CC/form_EOM_one_body.f90—form_EOM_one_bodysrc/CC/form_EOM_two_body.f90—form_EOM_two_bodysrc/CC/form_FB.f90—form_FBsrc/CC/form_T.f90—form_Tsrc/CC/form_X.f90—form_Xsrc/CC/form_abh.f90—form_abhsrc/CC/form_cF_nc.f90—form_cF_ncsrc/CC/form_cW_nc.f90—form_cW_ncsrc/CC/form_crossed_ring_r.f90—form_crossed_ring_rsrc/CC/form_delta_OOOVVV.f90—form_delta_OOOVVVsrc/CC/form_delta_OOVV.f90—form_delta_OOVVsrc/CC/form_delta_OOVV_plus.f90—form_delta_OOVV_plussrc/CC/form_delta_OV.f90—form_delta_OVsrc/CC/form_delta_OV_plus.f90—form_delta_OV_plussrc/CC/form_g.f90—form_gsrc/CC/form_h.f90—form_hsrc/CC/form_ladder_r.f90—form_ladder_rsrc/CC/form_r1.f90—form_r1src/CC/form_r1_nc.f90—form_r1_ncsrc/CC/form_r2.f90—form_r2src/CC/form_r2_nc.f90—form_r2_ncsrc/CC/form_ring_r.f90—form_ring_rsrc/CC/form_tau.f90—form_tausrc/CC/form_tau_nc.f90—form_tau_ncsrc/CC/form_taus_nc.f90—form_taus_ncsrc/CC/form_u.f90—form_usrc/CC/form_ub.f90—form_ubsrc/CC/form_ubb.f90—form_ubbsrc/CC/form_v.f90—form_vsrc/CC/lCCD.f90—lCCDsrc/CC/lGCCD.f90—lGCCDsrc/CC/pCCD.f90—pCCDsrc/CC/pCCD_orbital_gradient.f90—pCCD_orbital_gradientsrc/CC/pCCD_orbital_hessian.f90—pCCD_orbital_hessiansrc/CC/pCCD_rdm.f90—pCCD_rdmsrc/CC/pCCD_t_residual.f90—pCCD_t_residualsrc/CC/pCCD_z_residual.f90—pCCD_z_residualsrc/CC/rCCD.f90—rCCDsrc/CC/rGCCD.f90—rGCCD
CI¶
src/CI/CID.f90—CIDsrc/CI/CISD.f90—CISDsrc/CI/CIS_D.f90—CIS_Dsrc/CI/FCI.f90—FCIsrc/CI/RCI.f90—RCIsrc/CI/RCIS.f90—RCISsrc/CI/UCI.f90—UCIsrc/CI/UCIS.f90—UCIS
Faddeev¶
src/Faddeev/G_TDA_Faddeev_Parquet.f90—G_TDA_Faddeev_Parquet,idx_m1,idx_m2,idx_m3,idx_p1,idx_p2,idx_p3src/Faddeev/G_TDA_Faddeev_self_energy.f90—G_TDA_Faddeev_self_energy,TDA_Faddeev_strip_pair,G_TDA_Faddeev_build,spin,G_TDA_Faddeev_spectrum,Faddeev_spectrum,G_TDA_Faddeev_vertices,v,inv,TDA_Faddeev_sources,check_kernel,invsrc/Faddeev/R_FRPA.f90—build_FRPA,antisym,solve_RPA,ccd_pair_pencil,pair_pencil,make_channels,channel_diagonal,sector_poles,run_faddeev_pairs,ccd_sources,amplitude,R_FRPA,R_FRPA_BSE,R_Faddeev_ccd_sourcessrc/Faddeev/R_Faddeev.f90—R_Faddeev,R_bare_dressed_sourcessrc/Faddeev/R_GW_Faddeev.f90—R_GW_Faddeevsrc/Faddeev/R_TDA_Faddeev_self_energy.f90—R_TDA_Faddeev_self_energy,R_TDA_Faddeev_IP,R_TDA_Faddeev_IP_roots,R_TDA_Faddeev_lift,lift_pair,R_TDA_Faddeev_lift_sources,transformsrc/Faddeev/TDA_Faddeev_IP.f90—initialize,check_kernel,spin,apply,apply_channels,apply_metric,harmonic,davidson,davidson_roots,assign_holes,orthogonalize,G_TDA_Faddeev_IP,G_TDA_Faddeev_IP_roots,G_TDA_Faddeev_IP_actionsrc/Faddeev/TDA_Faddeev_static3.f90—TDA_Faddeev_static3,vsrc/Faddeev/read_faddeev_options.f90—read_faddeev_options
GF¶
src/GF/GG0F2.f90—GG0F2src/GF/GG0F3.f90—GG0F3src/GF/GGF.f90—GGFsrc/GF/GGF2_QP_graph.f90—GGF2_QP_graphsrc/GF/GGF2_SigC.f90—GGF2_SigCsrc/GF/GGF2_dSigC.f90—GGF2_dSigCsrc/GF/GGF2_phBSE.f90—GGF2_phBSEsrc/GF/GGF2_phBSE_static_kernel_A.f90—GGF2_phBSE_static_kernel_Asrc/GF/GGF2_phBSE_static_kernel_B.f90—GGF2_phBSE_static_kernel_Bsrc/GF/GGF2_ppBSE.f90—GGF2_ppBSEsrc/GF/GGF2_ppBSE_static_kernel_B.f90—GGF2_ppBSE_static_kernel_Bsrc/GF/GGF2_ppBSE_static_kernel_C.f90—GGF2_ppBSE_static_kernel_Csrc/GF/GGF2_ppBSE_static_kernel_D.f90—GGF2_ppBSE_static_kernel_Dsrc/GF/GGF2_self_energy_diag.f90—GGF2_self_energy_diagsrc/GF/GGF3_QP_graph.f90—GGF3_QP_graphsrc/GF/GGF3_SigC.f90—GGF3_SigCsrc/GF/GGF3_dSigC.f90—GGF3_dSigCsrc/GF/GGF3_self_energy_diag.f90—GGF3_self_energy_diagsrc/GF/GpsdG0F3.f90—GpsdG0F3src/GF/GpsdGF3_QP_graph.f90—GpsdGF3_QP_graphsrc/GF/GpsdGF3_SigC.f90—GpsdGF3_SigCsrc/GF/GpsdGF3_dSigC.f90—GpsdGF3_dSigCsrc/GF/GpsdGF3_self_energy_diag.f90—GpsdGF3_self_energy_diagsrc/GF/RG0F2.f90—RG0F2src/GF/RG0F3.f90—RG0F3src/GF/RGF.f90—RGFsrc/GF/RGF2_QP_graph.f90—RGF2_QP_graphsrc/GF/RGF2_SRG_SigC.f90—RGF2_SRG_SigC,RGF2_SRG_ratiosrc/GF/RGF2_SRG_dSigC.f90—RGF2_SRG_dSigCsrc/GF/RGF2_SRG_self_energy.f90—RGF2_SRG_self_energysrc/GF/RGF2_SRG_self_energy_diag.f90—RGF2_SRG_self_energy_diagsrc/GF/RGF2_SigC.f90—RGF2_SigCsrc/GF/RGF2_dSigC.f90—RGF2_dSigCsrc/GF/RGF2_phBSE.f90—RGF2_phBSEsrc/GF/RGF2_phBSE_dynamic_kernel_A.f90—RGF2_phBSE_dynamic_kernel_Asrc/GF/RGF2_phBSE_dynamic_kernel_B.f90—RGF2_phBSE_dynamic_kernel_Bsrc/GF/RGF2_phBSE_dynamic_perturbation.f90—RGF2_phBSE_dynamic_perturbationsrc/GF/RGF2_phBSE_static_kernel_A.f90—RGF2_phBSE_static_kernel_Asrc/GF/RGF2_phBSE_static_kernel_B.f90—RGF2_phBSE_static_kernel_Bsrc/GF/RGF2_ppBSE.f90—RGF2_ppBSEsrc/GF/RGF2_ppBSE_dynamic_kernel_B.f90—RGF2_ppBSE_dynamic_kernel_Bsrc/GF/RGF2_ppBSE_dynamic_kernel_C.f90—RGF2_ppBSE_dynamic_kernel_Csrc/GF/RGF2_ppBSE_dynamic_kernel_D.f90—RGF2_ppBSE_dynamic_kernel_Dsrc/GF/RGF2_ppBSE_dynamic_perturbation.f90—RGF2_ppBSE_dynamic_perturbationsrc/GF/RGF2_ppBSE_static_kernel_B.f90—RGF2_ppBSE_static_kernel_Bsrc/GF/RGF2_ppBSE_static_kernel_C.f90—RGF2_ppBSE_static_kernel_Csrc/GF/RGF2_ppBSE_static_kernel_D.f90—RGF2_ppBSE_static_kernel_Dsrc/GF/RGF2_self_energy.f90—RGF2_self_energysrc/GF/RGF2_self_energy_diag.f90—RGF2_self_energy_diagsrc/GF/RGF3_QP_graph.f90—RGF3_QP_graphsrc/GF/RGF3_SigC.f90—RGF3_SigCsrc/GF/RGF3_dSigC.f90—RGF3_dSigCsrc/GF/RGF3_self_energy_diag.f90—RGF3_self_energy_diagsrc/GF/RpsdG0F3.f90—RpsdG0F3src/GF/RpsdGF3_self_energy_diag.f90—RpsdGF3_self_energy_diagsrc/GF/UG0F2.f90—UG0F2src/GF/UGF.f90—UGFsrc/GF/UGF2_reg_self_energy.f90—UGF2_reg_self_energysrc/GF/UGF2_reg_self_energy_diag.f90—UGF2_reg_self_energy_diagsrc/GF/UGF2_self_energy.f90—UGF2_self_energysrc/GF/UGF2_self_energy_diag.f90—UGF2_self_energy_diagsrc/GF/complex_RGF.f90—complex_RGFsrc/GF/complex_cRG0F2.f90—complex_cRG0F2src/GF/complex_cRGF2_QP_graph.f90—complex_cRGF2_QP_graphsrc/GF/complex_cRGF2_SRG_SigC_dSigC.f90—complex_cRGF2_SRG_SigC_dSigCsrc/GF/complex_cRGF2_SRG_self_energy.f90—complex_cRGF2_SRG_self_energysrc/GF/complex_cRGF2_SRG_self_energy_diag.f90—complex_cRGF2_SRG_self_energy_diagsrc/GF/complex_cRGF2_SigC_dSigC.f90—complex_cRGF2_SigC_dSigCsrc/GF/complex_cRGF2_self_energy.f90—complex_cRGF2_self_energysrc/GF/complex_cRGF2_self_energy_diag.f90—complex_cRGF2_self_energy_diagsrc/GF/complex_evRGF2.f90—complex_evRGF2src/GF/complex_qsRGF2.f90—complex_qsRGF2src/GF/evGGF2.f90—evGGF2src/GF/evRGF2.f90—evRGF2src/GF/evRGF3.f90—evRGF3src/GF/evUGF2.f90—evUGF2src/GF/print_G0F3.f90—print_G0F3src/GF/print_GG0F2.f90—print_GG0F2src/GF/print_GG0F3.f90—print_GG0F3src/GF/print_RG0F2.f90—print_RG0F2src/GF/print_RG0F3.f90—print_RG0F3src/GF/print_UG0F2.f90—print_UG0F2src/GF/print_cRG0F2.f90—print_cRG0F2src/GF/print_complex_cRG0F2.f90—print_complex_cRG0F2src/GF/print_complex_evRGF2.f90—print_complex_evRGF2src/GF/print_complex_qsRGF2.f90—print_complex_qsRGF2src/GF/print_evGF3.f90—print_evGF3src/GF/print_evGGF2.f90—print_evGGF2src/GF/print_evRGF2.f90—print_evRGF2src/GF/print_evUGF2.f90—print_evUGF2src/GF/print_qsRGF2.f90—print_qsRGF2src/GF/print_qsUGF2.f90—print_qsUGF2src/GF/qsRGF2.f90—qsRGF2src/GF/qsUGF2.f90—qsUGF2
GPU¶
src/GPU/cu_quack_module.f90—ph_drpa_tda_sing,ph_drpa_sing
GT¶
src/GT/GG0T0eh.f90—GG0T0ehsrc/GT/GG0T0pp.f90—GG0T0ppsrc/GT/GGT.f90—GGTsrc/GT/GGT_Tmatrix.f90—GGT_Tmatrixsrc/GT/GGTeh_excitation_density.f90—GGTeh_excitation_densitysrc/GT/GGTeh_self_energy_diag.f90—GGTeh_self_energy_diagsrc/GT/GGTpp_QP_graph.f90—GGTpp_QP_graphsrc/GT/GGTpp_SigC.f90—GGTpp_SigCsrc/GT/GGTpp_dSigC.f90—GGTpp_dSigCsrc/GT/GGTpp_excitation_density.f90—GGTpp_excitation_densitysrc/GT/GGTpp_phBSE.f90—GGTpp_ehBSEsrc/GT/GGTpp_phBSE_static_kernel_A.f90—GGTpp_phBSE_static_kernel_Asrc/GT/GGTpp_phBSE_static_kernel_B.f90—GGTpp_phBSE_static_kernel_Bsrc/GT/GGTpp_ppBSE.f90—GGTpp_ppBSEsrc/GT/GGTpp_ppBSE_static_kernel_B.f90—GGTpp_ppBSE_static_kernel_Bsrc/GT/GGTpp_ppBSE_static_kernel_C.f90—GGTpp_ppBSE_static_kernel_Csrc/GT/GGTpp_ppBSE_static_kernel_D.f90—GGTpp_ppBSE_static_kernel_Dsrc/GT/GGTpp_self_energy_diag.f90—GGTpp_self_energy_diagsrc/GT/GTeh_regularization.f90—GTeh_regularizationsrc/GT/GTpp_regularization.f90—GTpp_regularizationsrc/GT/G_linDM_GT.f90—G_linDM_GTsrc/GT/RG0T0eh.f90—RG0T0ehsrc/GT/RG0T0pp.f90—RG0T0ppsrc/GT/RGT.f90—RGTsrc/GT/RGT_Tmatrix.f90—RGT_Tmatrixsrc/GT/RGTeh_QP_graph.f90—RGTeh_QP_graphsrc/GT/RGTeh_SigC.f90—RGTeh_SigCsrc/GT/RGTeh_dSigC.f90—RGTeh_dSigCsrc/GT/RGTeh_excitation_density.f90—RGTeh_excitation_densitysrc/GT/RGTeh_plot_self_energy.f90—RGTeh_plot_self_energysrc/GT/RGTeh_self_energy.f90—RGTeh_self_energysrc/GT/RGTeh_self_energy_diag.f90—RGTeh_self_energy_diagsrc/GT/RGTpp_QP_graph.f90—RGTpp_QP_graphsrc/GT/RGTpp_SigC.f90—RGTpp_SigCsrc/GT/RGTpp_dSigC.f90—RGTpp_dSigCsrc/GT/RGTpp_excitation_density.f90—RGTpp_excitation_densitysrc/GT/RGTpp_phACFTD.f90—RGTpp_phACFDTsrc/GT/RGTpp_phBSE.f90—RGTpp_phBSEsrc/GT/RGTpp_phBSE_dynamic_kernel_A.f90—RGTpp_phBSE_dynamic_kernel_Asrc/GT/RGTpp_phBSE_dynamic_kernel_B.f90—RGTpp_phBSE_dynamic_kernel_Bsrc/GT/RGTpp_phBSE_dynamic_perturbation.f90—RGTpp_phBSE_dynamic_perturbationsrc/GT/RGTpp_phBSE_omegazero.f90—RGTpp_phBSE_omegazero,RGTpp_phBSE_static_kernel_A_omegazerosrc/GT/RGTpp_phBSE_qs.f90—RGTpp_phBSE_qs,RGTpp_phBSE_static_kernel_A_qssrc/GT/RGTpp_phBSE_static_kernel_A.f90—RGTpp_phBSE_static_kernel_Asrc/GT/RGTpp_phBSE_static_kernel_B.f90—RGTpp_phBSE_static_kernel_Bsrc/GT/RGTpp_plot_self_energy.f90—RGTpp_plot_self_energysrc/GT/RGTpp_ppBSE.f90—RGTpp_ppBSEsrc/GT/RGTpp_ppBSE_static_kernel_B.f90—RGTpp_ppBSE_static_kernel_Bsrc/GT/RGTpp_ppBSE_static_kernel_C.f90—RGTpp_ppBSE_static_kernel_Csrc/GT/RGTpp_ppBSE_static_kernel_D.f90—RGTpp_ppBSE_static_kernel_Dsrc/GT/RGTpp_self_energy.f90—RGTpp_self_energysrc/GT/RGTpp_self_energy_diag.f90—RGTpp_self_energy_diagsrc/GT/RGTpp_self_energy_iomega.f90—RGTpp_self_energy_iomegasrc/GT/R_linDM_GT.f90—R_linDM_GTsrc/GT/UG0T0pp.f90—UG0T0ppsrc/GT/UGT.f90—UGTsrc/GT/UGTpp_excitation_density.f90—UGTpp_excitation_densitysrc/GT/UGTpp_self_energy.f90—UGTpp_self_energysrc/GT/UGTpp_self_energy_diag.f90—UGTpp_self_energy_diagsrc/GT/evRGTeh.f90—evRGTehsrc/GT/evRGTpp.f90—evRGTppsrc/GT/evUGTpp.f90—evUGTppsrc/GT/linDyson_GTpp_RHF_analytic_Sig.f90—linDyson_GTpp_analytic_Sig_RHFsrc/GT/print_GG0T0eh.f90—print_GG0T0ehsrc/GT/print_GG0T0pp.f90—print_GG0T0ppsrc/GT/print_RG0T0eh.f90—print_RG0T0ehsrc/GT/print_RG0T0pp.f90—print_RG0T0ppsrc/GT/print_UG0T0.f90—print_UG0T0src/GT/print_evRGTeh.f90—print_evRGTehsrc/GT/print_evRGTpp.f90—print_evRGTppsrc/GT/print_evUGT.f90—print_evUGTsrc/GT/print_qsRGTeh.f90—print_qsRGTehsrc/GT/print_qsRGTpp.f90—print_qsRGTppsrc/GT/print_qsUGT.f90—print_qsUGTsrc/GT/qsRGTeh.f90—qsRGTehsrc/GT/qsRGTpp.f90—qsRGTppsrc/GT/qsUGTpp.f90—qsUGTppsrc/GT/ufRG0T0pp.f90—ufRG0T0pp
GW¶
src/GW/GG0W0.f90—GG0W0src/GW/GGW.f90—GGWsrc/GW/GGW_QP_graph.f90—GGW_QP_graphsrc/GW/GGW_Re_SigC.f90—GGW_Re_SigCsrc/GW/GGW_Re_dSigC.f90—GGW_Re_dSigCsrc/GW/GGW_SRG_Re_SigC.f90—GGW_SRG_Re_SigCsrc/GW/GGW_SRG_Re_dSigC.f90—GGW_SRG_Re_dSigCsrc/GW/GGW_SRG_self_energy.f90—GGW_SRG_self_energysrc/GW/GGW_SRG_self_energy_diag.f90—GGW_SRG_self_energy_diagsrc/GW/GGW_excitation_density.f90—GGW_excitation_densitysrc/GW/GGW_phBSE.f90—GGW_phBSEsrc/GW/GGW_phBSE_omegazero.f90—GGW_phBSE_omegazero,GGW_phBSE_static_kernel_A_omegazerosrc/GW/GGW_phBSE_qs.f90—GGW_phBSE_qs,GGW_phBSE_static_kernel_A_qssrc/GW/GGW_phBSE_static_kernel.f90—GGW_phBSE_static_kernelsrc/GW/GGW_phBSE_static_kernel_A.f90—GGW_phBSE_static_kernel_Asrc/GW/GGW_phBSE_static_kernel_B.f90—GGW_phBSE_static_kernel_Bsrc/GW/GGW_ppBSE.f90—GGW_ppBSEsrc/GW/GGW_ppBSE_dynamic_kernel_B.f90—GGW_ppBSE_dynamic_kernel_Bsrc/GW/GGW_ppBSE_dynamic_kernel_C.f90—GGW_ppBSE_dynamic_kernel_Csrc/GW/GGW_ppBSE_dynamic_kernel_D.f90—GGW_ppBSE_dynamic_kernel_Dsrc/GW/GGW_ppBSE_dynamic_perturbation.f90—GGW_ppBSE_dynamic_perturbationsrc/GW/GGW_ppBSE_omegazero.f90—GGW_ppBSE_omegazero,GGW_ppBSE_static_kernel_D_omegazerosrc/GW/GGW_ppBSE_qs.f90—GGW_ppBSE_qs,GGW_ppBSE_static_kernel_D_qssrc/GW/GGW_ppBSE_static_kernel_B.f90—GGW_ppBSE_static_kernel_Bsrc/GW/GGW_ppBSE_static_kernel_C.f90—GGW_ppBSE_static_kernel_Csrc/GW/GGW_ppBSE_static_kernel_D.f90—GGW_ppBSE_static_kernel_Dsrc/GW/GGW_ppBSE_upfolded.f90—GGW_ppBSE_upfoldedsrc/GW/GGW_self_energy.f90—GGW_self_energysrc/GW/GGW_self_energy_diag.f90—GGW_self_energy_diagsrc/GW/G_linDM_GW.f90—G_linDM_GWsrc/GW/MOM_SRG_UGW_Re_SigC.f90—MOM_SRG_UGW_Re_SigCsrc/GW/MOM_SRG_UGW_Re_dSigC.f90—MOM_SRG_UGW_Re_dSigCsrc/GW/MOM_UG0W0.f90—MOM_UG0W0src/GW/MOM_UGW_QP_graph.f90—MOM_UGW_QP_graphsrc/GW/MOM_UGW_Re_SigC.f90—MOM_UGW_Re_SigCsrc/GW/MOM_UGW_Re_dSigC.f90—MOM_UGW_Re_dSigCsrc/GW/MOM_UGW_SRG_self_energy.f90—MOM_UGW_SRG_self_energysrc/GW/MOM_UGW_SRG_self_energy_diag.f90—MOM_UGW_SRG_self_energy_diagsrc/GW/MOM_UGW_excitation_density.f90—MOM_UGW_excitation_densitysrc/GW/MOM_UGW_phBSE.f90—MOM_UGW_phBSEsrc/GW/MOM_UGW_phBSE_dynamic_kernel_A.f90—MOM_UGW_phBSE_dynamic_kernel_Asrc/GW/MOM_UGW_phBSE_dynamic_perturbation.f90—MOM_UGW_phBSE_dynamic_perturbationsrc/GW/MOM_UGW_phBSE_static_kernel_A.f90—MOM_UGW_phBSE_static_kernel_Asrc/GW/MOM_UGW_phBSE_static_kernel_B.f90—MOM_UGW_phBSE_static_kernel_Bsrc/GW/MOM_UGW_self_energy.f90—MOM_UGW_self_energysrc/GW/MOM_UGW_self_energy_diag.f90—MOM_UGW_self_energy_diagsrc/GW/MOM_evUGW.f90—MOM_evUGWsrc/GW/MOM_qsUGW.f90—MOM_qsUGWsrc/GW/RG0W0.f90—RG0W0src/GW/RGW.f90—RGWsrc/GW/RGWC.f90—RGWCsrc/GW/RGW_COT.f90—RGW_COTsrc/GW/RGW_Im_SigC.f90—RGW_Im_SigCsrc/GW/RGW_Im_dSigC.f90—RGW_Im_dSigCsrc/GW/RGW_QP_graph.f90—RGW_QP_graphsrc/GW/RGW_Re_SigC.f90—RGW_Re_SigCsrc/GW/RGW_Re_dSigC.f90—RGW_Re_dSigCsrc/GW/RGW_SRG_Re_SigC.f90—RGW_SRG_Re_SigCsrc/GW/RGW_SRG_Re_dSigC.f90—RGW_SRG_Re_dSigCsrc/GW/RGW_SRG_self_energy.f90—RGW_SRG_self_energysrc/GW/RGW_SRG_self_energy_diag.f90—RGW_SRG_self_energy_diagsrc/GW/RGW_excitation_density.f90—RGW_excitation_densitysrc/GW/RGW_phACFDT.f90—RGW_phACFDTsrc/GW/RGW_phBSE.f90—RGW_phBSEsrc/GW/RGW_phBSE2_dynamic_kernel_A.f90—RGW_phBSE2_dynamic_kernel_Asrc/GW/RGW_phBSE2_dynamic_kernel_B.f90—RGW_phBSE2_dynamic_kernel_Bsrc/GW/RGW_phBSE2_static_kernel_A.f90—RGW_phBSE2_static_kernel_Asrc/GW/RGW_phBSE2_static_kernel_B.f90—RGW_phBSE2_static_kernel_Bsrc/GW/RGW_phBSE_dynamic_kernel_A.f90—RGW_phBSE_dynamic_kernel_Asrc/GW/RGW_phBSE_dynamic_kernel_B.f90—RGW_phBSE_dynamic_kernel_Bsrc/GW/RGW_phBSE_dynamic_perturbation.f90—RGW_phBSE_dynamic_perturbationsrc/GW/RGW_phBSE_omegazero.f90—RGW_phBSE_omegazero,RGW_phBSE_static_kernel_A_omegazerosrc/GW/RGW_phBSE_qs.f90—RGW_phBSE_qs,RGW_phBSE_static_kernel_A_qssrc/GW/RGW_phBSE_static_kernel.f90—RGW_phBSE_static_kernelsrc/GW/RGW_phBSE_static_kernel_A.f90—RGW_phBSE_static_kernel_Asrc/GW/RGW_phBSE_static_kernel_B.f90—RGW_phBSE_static_kernel_Bsrc/GW/RGW_phBSE_static_kernel_fullmat.f90—RGW_phBSE_static_kernel_fullmatsrc/GW/RGW_phBSE_upfolded.f90—RGW_phBSE_upfoldedsrc/GW/RGW_phBSE_upfolded_sym.f90—RGW_phBSE_upfolded_symsrc/GW/RGW_plot_self_energy.f90—RGW_plot_self_energysrc/GW/RGW_ppBSE.f90—RGW_ppBSEsrc/GW/RGW_ppBSE_dynamic_kernel_B.f90—RGW_ppBSE_dynamic_kernel_Bsrc/GW/RGW_ppBSE_dynamic_kernel_C.f90—RGW_ppBSE_dynamic_kernel_Csrc/GW/RGW_ppBSE_dynamic_kernel_D.f90—RGW_ppBSE_dynamic_kernel_Dsrc/GW/RGW_ppBSE_dynamic_perturbation.f90—RGW_ppBSE_dynamic_perturbationsrc/GW/RGW_ppBSE_omegazero.f90—RGW_ppBSE_omegazero,RGW_ppBSE_static_kernel_C_omegazero,RGW_ppBSE_static_kernel_D_omegazerosrc/GW/RGW_ppBSE_qs.f90—RGW_ppBSE_qs,RGW_ppBSE_static_kernel_C_qs,RGW_ppBSE_static_kernel_D_qs,RGW_ppBSE_static_kernel_D_qs_v2src/GW/RGW_ppBSE_static_kernel_B.f90—RGW_ppBSE_static_kernel_Bsrc/GW/RGW_ppBSE_static_kernel_C.f90—RGW_ppBSE_static_kernel_Csrc/GW/RGW_ppBSE_static_kernel_D.f90—RGW_ppBSE_static_kernel_Dsrc/GW/RGW_self_energy.f90—RGW_self_energysrc/GW/RGW_self_energy_diag.f90—RGW_self_energy_diagsrc/GW/RGW_self_energy_iomega.f90—RGW_self_energy_iomegasrc/GW/RGW_static_self_energy.f90—RGW_static_self_energysrc/GW/R_GW_BSE_blocks.f90—R_GW_BSE_screening,R_GW_BSE_eh_blocks,R_GW_BSE_pp_blockssrc/GW/R_linDM_GW.f90—R_linDM_GWsrc/GW/UG0W0.f90—UG0W0src/GW/UGW.f90—UGWsrc/GW/UGW_QP_graph.f90—UGW_QP_graphsrc/GW/UGW_Re_SigC.f90—UGW_Re_SigCsrc/GW/UGW_Re_dSigC.f90—UGW_Re_dSigCsrc/GW/UGW_SRG_Re_SigC.f90—UGW_SRG_Re_SigCsrc/GW/UGW_SRG_Re_dSigC.f90—UGW_SRG_Re_dSigCsrc/GW/UGW_SRG_self_energy.f90—UGW_SRG_self_energysrc/GW/UGW_SRG_self_energy_diag.f90—UGW_SRG_self_energy_diagsrc/GW/UGW_excitation_density.f90—UGW_excitation_densitysrc/GW/UGW_phACFDT.f90—UGW_phACFDTsrc/GW/UGW_phBSE.f90—UGW_phBSEsrc/GW/UGW_phBSE_dynamic_kernel_A.f90—UGW_phBSE_dynamic_kernel_Asrc/GW/UGW_phBSE_dynamic_perturbation.f90—UGW_phBSE_dynamic_perturbationsrc/GW/UGW_phBSE_static_kernel_A.f90—UGW_phBSE_static_kernel_Asrc/GW/UGW_phBSE_static_kernel_B.f90—UGW_phBSE_static_kernel_Bsrc/GW/UGW_self_energy.f90—UGW_self_energysrc/GW/UGW_self_energy_diag.f90—UGW_self_energy_diagsrc/GW/ccRG0W0.f90—ccRG0W0src/GW/ccRG0W0_TDA.f90—ccRG0W0_TDAsrc/GW/ccRGW.f90—ccRGWsrc/GW/ccRGW_mat.f90—ccRGW_matsrc/GW/complex_RGW.f90—complex_RGWsrc/GW/complex_RGW_QP_graph.f90—complex_RGW_QP_graphsrc/GW/complex_RGW_SRG_SigC_dSigC.f90—complex_RGW_SRG_SigC_dSigCsrc/GW/complex_RGW_SRG_self_energy.f90—complex_RGW_SRG_self_energysrc/GW/complex_RGW_SRG_self_energy_diag.f90—complex_RGW_SRG_self_energy_diagsrc/GW/complex_RGW_SigC_dSigC.f90—complex_RGW_SigC_dSigCsrc/GW/complex_RGW_excitation_density.f90—complex_RGW_excitation_densitysrc/GW/complex_RGW_plot_self_energy.f90—complex_RGW_plot_self_energysrc/GW/complex_RGW_self_energy.f90—complex_RGW_self_energysrc/GW/complex_RGW_self_energy_diag.f90—complex_RGW_self_energy_diagsrc/GW/complex_cRG0W0.f90—complex_cRG0W0src/GW/complex_complex_RG0W0.f90—complex_complex_RG0W0src/GW/complex_complex_RGW_SRG_self_energy_diag.f90—complex_complex_RGW_SRG_self_energy_diagsrc/GW/complex_complex_RGW_self_energy_diag.f90—complex_complex_RGW_self_energy_diagsrc/GW/complex_evRGW.f90—complex_evRGWsrc/GW/complex_qsRGW.f90—complex_qsRGWsrc/GW/complex_qsRGW_plot_self_energy.f90—complex_qsRGW_plot_self_energysrc/GW/evGGW.f90—evGGWsrc/GW/evRGW.f90—evRGWsrc/GW/evUGW.f90—evUGWsrc/GW/linDyson_GW_RHF_analytic_Sig.f90—linDyson_GW_analytic_Sig_RHFsrc/GW/print_GG0W0.f90—print_GG0W0src/GW/print_RG0W0.f90—print_RG0W0src/GW/print_RqsGWi.f90—print_RqsGWisrc/GW/print_UG0W0.f90—print_UG0W0src/GW/print_cRG0W0.f90—print_cRG0W0src/GW/print_complex_cRG0W0.f90—print_complex_cRG0W0src/GW/print_complex_evRGW.f90—print_complex_evRGWsrc/GW/print_complex_qsRGW.f90—print_complex_qsRGWsrc/GW/print_evGGW.f90—print_evGGWsrc/GW/print_evRGW.f90—print_evRGWsrc/GW/print_evUGW.f90—print_evUGWsrc/GW/print_qsGGW.f90—print_qsGGWsrc/GW/print_qsGWB.f90—print_qsGWBsrc/GW/print_qsRGW.f90—print_qsRGWsrc/GW/print_qsUGW.f90—print_qsUGWsrc/GW/qsGGW.f90—qsGGWsrc/GW/qsRGW.f90—qsRGWsrc/GW/qsUGW.f90—qsUGWsrc/GW/self_energy_exchange.f90—self_energy_exchangesrc/GW/self_energy_exchange_diag.f90—self_energy_exchange_diag
GWiw¶
src/GWiw/EcMP2_w_RHFB.f90—EcMP2_w_RHFBsrc/GWiw/EcRPA_Bogoliubov_FCIDUMP.f90—EcRPA_Bogoliubov_FCIDUMPsrc/GWiw/EcRPA_EcGM_w_GHF.f90—EcRPA_EcGM_w_GHFsrc/GWiw/EcRPA_EcGM_w_RHF.f90—EcRPA_EcGM_w_RHFsrc/GWiw/EcRPA_EcGM_w_RHFB.f90—EcRPA_EcGM_w_RHFBsrc/GWiw/GWiw_AC_sym_even_coeff.f90—GWiw_AC_sym_even_coeffsrc/GWiw/GWiw_AC_sym_even_eval.f90src/GWiw/GWiw_Ks.f90src/GWiw/GWiw_LSQ_setup.f90—GWiw_LSQ_setupsrc/GWiw/GWiw_LSQ_weights.f90—GWiw_LSQ_weightssrc/GWiw/GWiw_SRG_contour_nodes.f90—GWiw_SRG_contour_nodessrc/GWiw/GWiw_Wc_MO_RHF.f90—GWiw_Wc_MO_RHFsrc/GWiw/GWiw_read_wcoord.f90—GWiw_read_wcoordsrc/GWiw/GWiw_read_wweight.f90—GWiw_read_wweightsrc/GWiw/G_AO_GHFB_itau.f90—G_AO_GHFB_itausrc/GWiw/G_AO_GHFB_w.f90—G_AO_GHFB_wsrc/GWiw/G_AO_GHF_itau.f90—G_AO_GHF_itausrc/GWiw/G_AO_RHFB_itau.f90—G_AO_RHFB_itausrc/GWiw/G_AO_RHFB_w.f90—G_AO_RHFB_wsrc/GWiw/G_AO_RHF_itau.f90—G_AO_RHF_itausrc/GWiw/G_AO_RHF_w.f90—G_AO_RHF_wsrc/GWiw/G_MO_RHFB_w.f90—G_MO_RHFB_wsrc/GWiw/G_MO_RHF_w.f90—G_MO_RHF_wsrc/GWiw/R2G_scGF2B_AO_itau_iw.f90—Res_2_Gen_scGF2Bsrc/GWiw/RGW_SRG_iw_check.f90—RGW_SRG_iw_checksrc/GWiw/RGW_SRG_iw_self_energy.f90—RGW_SRG_iw_self_energysrc/GWiw/RGW_iw_Z.f90—RGW_iw_Zsrc/GWiw/Sigmac_AO_GF2B_itau.f90—Sigma_c_GF2B_he_prime,Sigma_c_GF2B_he_primeprime,Sigma_c_GF2B_eh_primeprime,Sigma_c_GF2B_hh_prime,Sigma_c_GF2B_ee_prime,Sigma_c_GF2B_hh_primeprime,Sigma_c_GF2B_ee_primeprimesrc/GWiw/Sigmac_AO_GGF2B_itau.f90—Sigma_c_GGF2B_he_prime,Sigma_c_GGF2B_he_prime2,Sigma_c_GGF2B_eh_prime,Sigma_c_GGF2B_eh_prime2,Sigma_c_GGF2B_hh_prime,Sigma_c_GGF2B_hh_prime2,Sigma_c_GGF2B_ee_prime,Sigma_c_GGF2B_ee_prime2src/GWiw/Sigmac_MO_RHFB_GW_w.f90—Sigmac_MO_RHFB_GW_wsrc/GWiw/Sigmac_MO_RHF_GF2_analytical.f90—Sigmac_MO_RHF_GF2_analyticalsrc/GWiw/Sigmac_MO_RHF_GW_analytical.f90—Sigmac_MO_RHF_GW_analyticalsrc/GWiw/Sigmac_MO_RHF_GW_w.f90—Sigmac_MO_RHF_GW_wsrc/GWiw/Xo_MO_RHFB_w.f90—Xo_MO_RHFB_wsrc/GWiw/Xo_MO_RHF_w.f90—Xo_MO_RHF_wsrc/GWiw/fix_chem_pot_scGX.f90—fix_chem_pot_scGXsrc/GWiw/fix_chem_pot_scGXB_bisec.f90—fix_chem_pot_scGXB_bisecsrc/GWiw/fix_chem_pot_scGX_bisec.f90—fix_chem_pot_scGX_bisecsrc/GWiw/get_1rdm_scGX.f90—get_1rdm_scGXsrc/GWiw/get_1rdm_scGXB.f90—get_1rdm_scGXBsrc/GWiw/get_1rdm_scGX_v2.f90—get_1rdm_scGX_v2src/GWiw/linDyson_GW_RHF.f90—linDyson_GW_RHFsrc/GWiw/linDyson_GW_RHFB.f90—linDyson_GW_RHFBsrc/GWiw/print_qsRGW_iw.f90—print_qsRGW_iwsrc/GWiw/qsRGW_iw.f90—qsRGW_iwsrc/GWiw/read_scGXB_restart.f90—read_scGXB_restartsrc/GWiw/read_scGX_grids.f90—read_scGX_gridssrc/GWiw/read_scGX_restart.f90—read_scGX_restartsrc/GWiw/scGF2B_AO_itau_iw.f90—scGF2B_AO_itau_iwsrc/GWiw/scGF2_AO_itau_iw.f90—scGF2_AO_itau_iwsrc/GWiw/scGGF2B_AO_itau_iw.f90—scGGF2B_AO_itau_iwsrc/GWiw/scGHF_AO_itau_iw.f90—scGHF_AO_itau_iwsrc/GWiw/scGWB_AO_itau_iw.f90—scGWB_AO_itau_iwsrc/GWiw/scGW_AO_itau_iw.f90—scGW_AO_itau_iwsrc/GWiw/write_scGXB_restart.f90—write_scGXB_restartsrc/GWiw/write_scGX_restart.f90—write_scGX_restart
HF¶
src/HF/GHF.f90—GHFsrc/HF/GHF_search.f90—GHF_searchsrc/HF/GHF_stability.f90—GHF_stabilitysrc/HF/Generalized_Fock_RHFB.f90—Generalized_Fock_RHFBsrc/HF/MOMROHF_determine_occupations.f90—MOMROHF_determine_occupationssrc/HF/MOMROHF_fock_matrix.f90—MOMROHF_fock_matrixsrc/HF/MOM_GHF.f90—MOM_GHFsrc/HF/MOM_RHF.f90—MOM_RHFsrc/HF/MOM_RHF_search.f90—MOM_RHF_searchsrc/HF/MOM_RHF_stability.f90—MOM_RHF_stabilitysrc/HF/MOM_ROHF.f90—MOM_ROHFsrc/HF/MOM_UHF.f90—MOM_UHFsrc/HF/MOM_UHF_search.f90—MOM_UHF_searchsrc/HF/MOM_UHF_stability.f90—MOM_UHF_stabilitysrc/HF/MOM_cRHF.f90—MOM_cRHFsrc/HF/MOM_cUHF.f90—MOM_cUHFsrc/HF/MOM_density_matrix.f90—MOM_density_matrixsrc/HF/MOM_guess.f90—MOM_guesssrc/HF/MOM_idx.f90—MOM_idxsrc/HF/RH.f90—RHsrc/HF/RHF.f90—RHFsrc/HF/RHFB.f90—RHFB,do_colinearity_testsrc/HF/RHF_hpc.f90—RHF_hpcsrc/HF/RHF_mix_guess.f90—RHF_mix_guesssrc/HF/RHF_search.f90—RHF_searchsrc/HF/RHF_stability.f90—RHF_stabilitysrc/HF/RMOM.f90—RMOMsrc/HF/ROHF.f90—ROHFsrc/HF/ROHF_fock_matrix.f90—ROHF_fock_matrixsrc/HF/UHF.f90—UHFsrc/HF/UHF_search.f90—UHF_searchsrc/HF/UHF_stability.f90—UHF_stabilitysrc/HF/cRHF.f90—cRHFsrc/HF/cUHF.f90—cUHFsrc/HF/complex_MOM_density_matrix.f90—complex_MOM_density_matrixsrc/HF/complex_core_guess.f90—complex_core_guesssrc/HF/complex_dipole_moment.f90—complex_dipole_momentsrc/HF/complex_huckel_guess.f90—complex_huckel_guesssrc/HF/complex_mix_guess.f90—complex_mix_guesssrc/HF/complex_mo_guess.f90—complex_mo_guesssrc/HF/complex_projected_overlap.f90—complex_projected_overlapsrc/HF/core_guess.f90—core_guesssrc/HF/density.f90—densitysrc/HF/density_matrix.f90—density_matrixsrc/HF/dipole_moment.f90—dipole_momentsrc/HF/eRHF.f90—ensembleRHFsrc/HF/fermi_dirac_occ.f90—fermi_dirac_occ,fermi_diracsrc/HF/fix_chem_pot.f90—fix_chem_pot,diag_H_hfbsrc/HF/guess_read_ghf.f90—guess_read_ghfsrc/HF/guess_read_rhf.f90—guess_read_rhfsrc/HF/huckel_guess.f90—huckel_guesssrc/HF/mix_guess.f90—mix_guesssrc/HF/mo_guess.f90—mo_guesssrc/HF/non_occupied.f90—non_occupiedsrc/HF/print_GHF.f90—print_GHFsrc/HF/print_GHF_spin.f90—print_GHF_spinsrc/HF/print_MOM_GHF.f90—print_MOM_GHFsrc/HF/print_MOM_RHF.f90—print_MOM_RHFsrc/HF/print_MOM_ROHF.f90—print_MOM_ROHFsrc/HF/print_MOM_UHF.f90—print_MOM_UHFsrc/HF/print_MOM_cUHF.f90—print_MOM_cUHFsrc/HF/print_RH.f90—print_RHsrc/HF/print_RHF.f90—print_RHFsrc/HF/print_RHFB.f90—print_RHFBsrc/HF/print_RHFB_AO_rdms.f90—print_RHFB_AO_rdmssrc/HF/print_RHF_AO_rdms.f90—print_RHF_AO_rdmssrc/HF/print_ROHF.f90—print_ROHFsrc/HF/print_UHF.f90—print_UHFsrc/HF/print_cRHF.f90—print_cRHFsrc/HF/print_cUHF.f90—print_cUHFsrc/HF/print_eRHF.f90—print_eRHFsrc/HF/print_eRHF_AO_rdms.f90—print_eRHF_AO_rdmssrc/HF/projected_overlap.f90—projected_overlapsrc/HF/read_restart_HFB.f90—read_restart_HFBsrc/HF/s2_2rdm_HFB.f90—s2_2rdm_HFBsrc/HF/sort_MOM.f90—sort_MOMsrc/HF/write_restart_HFB.f90—write_restart_HFB
LR¶
src/LR/MOM_S2_expval.f90—MOM_S2_expvalsrc/LR/MOM_phLR_oscillator_strength.f90—MOM_phLR_oscillator_strengthsrc/LR/MOM_phLR_transition_vectors.f90—MOM_phLR_transition_vectorssrc/LR/MOM_phRLR.f90—MOM_phRLRsrc/LR/MOM_phRLR_A.f90—MOM_phRLR_Asrc/LR/MOM_phRLR_B.f90—MOM_phRLR_Bsrc/LR/MOM_phULR.f90—MOM_phULRsrc/LR/MOM_phULR_A.f90—MOM_phULR_Asrc/LR/MOM_phULR_B.f90—MOM_phULR_Bsrc/LR/MOM_phULR_oscillator_strength.f90—MOM_phULR_oscillator_strengthsrc/LR/MOM_phULR_transition_vectors.f90—MOM_phULR_transition_vectorssrc/LR/S2_expval.f90—S2_expvalsrc/LR/complex_MOM_phRLR_A.f90—complex_MOM_phRLR_Asrc/LR/complex_MOM_phRLR_B.f90—complex_MOM_phRLR_Bsrc/LR/complex_complex_phRLR.f90—complex_complex_phRLRsrc/LR/complex_complex_phULR.f90—complex_complex_phULRsrc/LR/complex_phLR_transition_vectors.f90—complex_phLR_transition_vectorssrc/LR/complex_phRLR.f90—complex_phRLRsrc/LR/complex_phRLR_A.f90—complex_phRLR_Asrc/LR/complex_phRLR_B.f90—complex_phRLR_Bsrc/LR/complex_phULR.f90—complex_phULRsrc/LR/complex_phULR_A.f90—complex_phULR_Asrc/LR/complex_phULR_B.f90—complex_phULR_Bsrc/LR/complex_phULR_transition_vectors.f90—complex_phULR_transition_vectorssrc/LR/complex_ppRLR.f90—complex_ppRLRsrc/LR/complex_print_excitation_energies.f90—complex_print_excitation_energiessrc/LR/phGLR.f90—phGLRsrc/LR/phGLR_A.f90—phGLR_Asrc/LR/phGLR_B.f90—phGLR_Bsrc/LR/phLR_oscillator_strength.f90—phLR_oscillator_strengthsrc/LR/phLR_transition_vectors.f90—phLR_transition_vectorssrc/LR/phRLR.f90—phRLRsrc/LR/phRLR_A.f90—phRLR_Asrc/LR/phRLR_B.f90—phRLR_Bsrc/LR/phULR.f90—phULRsrc/LR/phULR_A.f90—phULR_Asrc/LR/phULR_B.f90—phULR_Bsrc/LR/phULR_oscillator_strength.f90—phULR_oscillator_strengthsrc/LR/phULR_transition_vectors.f90—phULR_transition_vectorssrc/LR/ppGLR.f90—ppGLRsrc/LR/ppGLR_B.f90—ppGLR_Bsrc/LR/ppGLR_C.f90—ppGLR_Csrc/LR/ppGLR_D.f90—ppGLR_Dsrc/LR/ppLR_GW_davidson.f90—ppLR_GW_HR_calc,ppLR_GW_H_diag,ppLR_GW_HR_calc_oneshot,ppLR_GW_HR_calc_batchessrc/LR/ppLR_RPA_davidson.f90—ppLR_RPA_HR_calc,ppLR_RPA_H_diagsrc/LR/ppLR_davidson.f90—ppLR_davidson,ppLR_davidson_1,ppLR_davidson_2src/LR/ppLR_oscillator_strength.f90—ppLR_oscillator_strengthsrc/LR/ppLR_transition_vectors.f90—ppLR_transition_vectorssrc/LR/ppRLR.f90—ppRLRsrc/LR/ppRLR_B.f90—ppRLR_Bsrc/LR/ppRLR_C.f90—ppRLR_Csrc/LR/ppRLR_C_od.f90—ppRLR_C_odsrc/LR/ppRLR_D.f90—ppRLR_Dsrc/LR/ppRLR_D_od.f90—ppRLR_D_odsrc/LR/ppULR.f90—ppULRsrc/LR/ppULR_B.f90—ppULR_Bsrc/LR/ppULR_C.f90—ppULR_Csrc/LR/ppULR_D.f90—ppULR_Dsrc/LR/print_excitation_energies.f90—print_excitation_energies
MP¶
src/MP/BMP2.f90—BMP2src/MP/GMP.f90—GMPsrc/MP/GMP2.f90—GMP2src/MP/GMP3.f90—GMP3src/MP/MOM_UMP2.f90—MOM_UMP2src/MP/RMP.f90—RMPsrc/MP/RMP2.f90—RMP2src/MP/UMP.f90—UMPsrc/MP/UMP2.f90—UMP2
OO¶
src/OO/GG0W0_rdm1_hf.f90—GG0W0_rdm1_hfsrc/OO/GG0W0_rdm1_mu.f90—GG0W0_rdm1_musrc/OO/GG0W0_rdm1_rpa.f90—GG0W0_rdm1_rpasrc/OO/GG0W0_rdm2_hf.f90—GG0W0_rdm2_hfsrc/OO/GG0W0_rdm2_mu.f90—GG0W0_rdm2_musrc/OO/GG0W0_rdm2_rpa.f90—GG0W0_rdm2_rpasrc/OO/G_optimize_orbitals.f90—G_optimize_orbitalssrc/OO/OOGG0W0.f90—OOGG0W0src/OO/OORG0W0.f90—OORG0W0src/OO/OO_phGLR_A.f90—OO_phGLR_Asrc/OO/OO_phRLR_A.f90—OO_phRLR_Asrc/OO/RG0W0_rdm1_hf.f90—RG0W0_rdm1_hfsrc/OO/RG0W0_rdm1_mu.f90—RG0W0_rdm1_musrc/OO/RG0W0_rdm1_rpa.f90—RG0W0_rdm1_rpasrc/OO/RG0W0_rdm1_rpax_triplet.f90—RG0W0_rdm1_rpax_tripletsrc/OO/RG0W0_rdm2_hf.f90—RG0W0_rdm2_hfsrc/OO/RG0W0_rdm2_rpa.f90—RG0W0_rdm2_rpasrc/OO/RG0W0_rdm2_rpax_triplet.f90—RG0W0_rdm2_rpax_tripletsrc/OO/RG0W0_rdms_crpa.f90—RG0W0_rdms_crpasrc/OO/RG0W0_transform_rdms_f_h.f90—RG0W0_transform_rdms_f_hsrc/OO/R_optimize_orbitals.f90—R_optimize_orbitalssrc/OO/R_rdm1_numerical.f90—R_rdm1_numericalsrc/OO/complex_exp_val_1body_rpa.f90—complex_exp_val_1body_rpasrc/OO/complex_exp_val_1body_urpa.f90—complex_exp_val_1body_urpasrc/OO/compute_f_gen.f90—compute_F_gensrc/OO/energy_from_rdm.f90—energy_from_rdmsrc/OO/exp_val_1body_rpa.f90—exp_val_1body_rpasrc/OO/get_pccd_energy.f90—get_pccd_energysrc/OO/get_rpa_energy.f90—get_rpa_energysrc/OO/orbital_gradient.f90—orbital_gradientsrc/OO/orbital_gradient_numerically.f90—orbital_gradient_numericallysrc/OO/orbital_hessian.f90—orbital_hessiansrc/OO/orbital_hessian_diag.f90—orbital_hessian_diagsrc/OO/orbital_hessian_diag_numerically.f90—orbital_hessian_diag_numericallysrc/OO/orbital_hessian_numerically.f90—orbital_hessian_numericallysrc/OO/orbital_hessian_ov.f90—orbital_hessian_ovsrc/OO/pccd_orbital_gradient_numerically.f90—pccd_orbital_gradient_numericallysrc/OO/rotate_orbitals.f90—rotate_orbitals
Parquet¶
src/Parquet/G_ADC_Parquet.f90—G_ADC_Parquet,regularized_inverse,vminus,vplus,DBminus_eh,DBminus_pp,DBplus_eh,DBplus_pp,Dehminus,Dehplus,Dhhminus,Deeplussrc/Parquet/G_Parquet_Galitskii_Migdal.f90—G_Parquet_Galitskii_Migdalsrc/Parquet/G_Parquet_self_energy.f90—G_Parquet_self_energy_SRG_dpsrc/Parquet/G_Parquet_self_energy_SRG_dp.f90—G_Parquet_self_energy_SRG_dpsrc/Parquet/G_Parquet_self_energy_alt_diag.f90—G_Parquet_self_energy_alt_diag,reg_factorssrc/Parquet/G_Parquet_self_energy_diag.f90—G_Parquet_self_energy_diagsrc/Parquet/G_eh_Gam.f90—G_eh_Gamma_Asrc/Parquet/G_eh_Gamma_A.f90—G_eh_Gamma_Asrc/Parquet/G_eh_Gamma_B.f90—G_eh_Gamma_Bsrc/Parquet/G_eh_Phi.f90—G_eh_Phisrc/Parquet/G_eh_screened_integral.f90—G_eh_screened_integralsrc/Parquet/G_evParquet.f90—G_evParquetsrc/Parquet/G_pp_Gam.f90—G_pp_Gamma_Dsrc/Parquet/G_pp_Gamma_B.f90—G_pp_Gamma_Bsrc/Parquet/G_pp_Gamma_C.f90—G_pp_Gamma_Csrc/Parquet/G_pp_Gamma_D.f90—G_pp_Gamma_Dsrc/Parquet/G_pp_Phi.f90—G_pp_Phisrc/Parquet/G_pp_screened_integral.f90—G_pp_screened_integralsrc/Parquet/G_print_parquet_1b.f90—G_print_parquet_1bsrc/Parquet/G_print_qsparquet_1b.f90—G_print_qsparquet_1bsrc/Parquet/G_qsParquet.f90—G_qsParquetsrc/Parquet/G_screened_integrals.f90—G_eh_screened_integralsrc/Parquet/R_ADC_Parquet.f90—R_ADC_Parquet,regularized_inverse,DBmI,DBmII,DBmIII,DBpI,DBpII,DBpIII,DehmS,DehmT,DehpS,DehpT,DhhmS,DhhmT,DeepS,DeepTsrc/Parquet/R_GW_Parquet.f90—R_GW_Parquet,eh_bse,pp_bse,evaluate,R_GW_Parquet_eh_integrals,R_GW_Parquet_pp_integralssrc/Parquet/R_Parquet_QP_graph.f90—R_Parquet_QP_graphsrc/Parquet/R_Parquet_plot_self_energy.f90—R_Parquet_plot_self_energysrc/Parquet/R_Parquet_self_energy.f90—R_Parquet_self_energysrc/Parquet/R_Parquet_self_energy_SRG_dp.f90—R_Parquet_self_energy_SRG_dpsrc/Parquet/R_Parquet_self_energy_SRG_sp.f90—R_Parquet_self_energy_SRG_spsrc/Parquet/R_Parquet_self_energy_alt_diag.f90—R_Parquet_self_energy_alt_diag,R_Parquet_self_energy_alt_omega,reg_factors,add_pp_channelsrc/Parquet/R_Parquet_self_energy_diag.f90—R_Parquet_self_energy_diagsrc/Parquet/R_Parquet_self_energy_diag_dp.f90—R_Parquet_self_energy_diag_dpsrc/Parquet/R_Parquet_self_energy_diag_omega.f90—R_Parquet_self_energy_diag_omegasrc/Parquet/R_Parquet_self_energy_diag_omega_dp.f90—R_Parquet_self_energy_diag_omega_dpsrc/Parquet/R_Parquet_self_energy_eta.f90—R_Parquet_self_energy_etasrc/Parquet/R_Parquet_self_energy_iieta.f90—R_Parquet_self_energy_iietasrc/Parquet/R_eh_singlet_Gam.f90—R_eh_singlet_Gamma_Asrc/Parquet/R_eh_singlet_Gamma_A.f90—R_eh_singlet_Gamma_Asrc/Parquet/R_eh_singlet_Gamma_B.f90—R_eh_singlet_Gamma_Bsrc/Parquet/R_eh_singlet_Phi.f90—R_eh_singlet_Phisrc/Parquet/R_eh_singlet_screened_integral.f90—R_eh_singlet_screened_integralsrc/Parquet/R_eh_triplet_Gam.f90—R_eh_triplet_Gamma_Asrc/Parquet/R_eh_triplet_Gamma_A.f90—R_eh_triplet_Gamma_Asrc/Parquet/R_eh_triplet_Gamma_B.f90—R_eh_triplet_Gamma_Bsrc/Parquet/R_eh_triplet_Phi.f90—R_eh_triplet_Phisrc/Parquet/R_eh_triplet_screened_integral.f90—R_eh_triplet_screened_integralsrc/Parquet/R_evParquet.f90—R_evParquetsrc/Parquet/R_pp_singlet_Gam.f90—R_pp_singlet_Gamma_Dsrc/Parquet/R_pp_singlet_Gamma_B.f90—R_pp_singlet_Gamma_Bsrc/Parquet/R_pp_singlet_Gamma_C.f90—R_pp_singlet_Gamma_Csrc/Parquet/R_pp_singlet_Gamma_D.f90—R_pp_singlet_Gamma_Dsrc/Parquet/R_pp_singlet_Phi.f90—R_pp_singlet_Phisrc/Parquet/R_pp_singlet_screened_integral.f90—R_pp_singlet_screened_integralsrc/Parquet/R_pp_triplet_Gam.f90—R_pp_triplet_Gamma_Dsrc/Parquet/R_pp_triplet_Gamma_B.f90—R_pp_triplet_Gamma_Bsrc/Parquet/R_pp_triplet_Gamma_C.f90—R_pp_triplet_Gamma_Csrc/Parquet/R_pp_triplet_Gamma_D.f90—R_pp_triplet_Gamma_Dsrc/Parquet/R_pp_triplet_Phi.f90—R_pp_triplet_Phisrc/Parquet/R_pp_triplet_screened_integral.f90—R_pp_triplet_screened_integralsrc/Parquet/R_print_parquet_1b.f90—R_print_parquet_1bsrc/Parquet/R_print_qsparquet_1b.f90—R_print_qsparquet_1bsrc/Parquet/R_qsParquet.f90—R_qsParquetsrc/Parquet/dump_GParquet_self-energy.f90—dump_GParquet_self_energysrc/Parquet/dump_GParquet_self_energy.f90—dump_GParquet_self_energysrc/Parquet/dump_RParquet_self-energy.f90—dump_RParquet_self_energysrc/Parquet/dump_RParquet_self_energy.f90—dump_RParquet_self_energy
QuAcK¶
src/QuAcK/BQuAcK.f90—BQuAcKsrc/QuAcK/GQuAcK.f90—GQuAcKsrc/QuAcK/QuAcK.f90src/QuAcK/RQuAcK.f90—RQuAcKsrc/QuAcK/RQuAcK_hpc.f90—RQuAcK_hpcsrc/QuAcK/UQuAcK.f90—UQuAcKsrc/QuAcK/read_eta_cap.f90—read_eta_capsrc/QuAcK/read_fcidump_1body.f90—read_fcidump_1bodysrc/QuAcK/read_fcidump_2body.f90—read_fcidump_2bodysrc/QuAcK/read_hpc_flags.f90—read_hpc_flagssrc/QuAcK/read_methods.f90—read_methodssrc/QuAcK/read_mom_occupations.f90—read_mom_occupationssrc/QuAcK/read_options.f90—read_options
RPA¶
src/RPA/BRPAx.f90—BRPAxsrc/RPA/GRPA.f90—GRPAsrc/RPA/MOM_phRRPA.f90—MOM_phRRPAsrc/RPA/MOM_phRRPAx.f90—MOM_phRRPAxsrc/RPA/MOM_phURPA.f90—MOM_phURPAsrc/RPA/MOM_phURPAx.f90—MOM_phURPAxsrc/RPA/RRPA.f90—RRPAsrc/RPA/URPA.f90—URPAsrc/RPA/complex_RRPA.f90—complex_RRPAsrc/RPA/complex_URPA.f90—complex_URPAsrc/RPA/complex_phRRPA.f90—complex_phRRPAsrc/RPA/complex_phRRPAx.f90—complex_phRRPAxsrc/RPA/complex_phURPA.f90—complex_phURPAsrc/RPA/complex_phURPAx.f90—complex_phURPAxsrc/RPA/complex_ppRRPA.f90—complex_ppRRPAsrc/RPA/complex_sort_ppRPA.f90—complex_sort_ppRPAsrc/RPA/crACFDT.f90—crACFDTsrc/RPA/crGRPA.f90—crGRPAsrc/RPA/crRRPA.f90—crRRPAsrc/RPA/phACFDT.f90—phACFDTsrc/RPA/phACFDT_correlation_energy.f90—phACFDT_correlation_energysrc/RPA/phGRPA.f90—phGRPAsrc/RPA/phGRPAx.f90—phGRPAxsrc/RPA/phRRPA.f90—phRRPAsrc/RPA/phRRPA_GPU.f90—phRRPA_GPU,phRRPA_GPUsrc/RPA/phRRPAx.f90—phRRPAxsrc/RPA/phUACFDT.f90—phUACFDTsrc/RPA/phUACFDT_correlation_energy.f90—phUACFDT_correlation_energysrc/RPA/phURPA.f90—phURPAsrc/RPA/phURPAx.f90—phURPAxsrc/RPA/ppACFDT.f90—ppACFDTsrc/RPA/ppACFDT_correlation_energy.f90—ppACFDT_correlation_energysrc/RPA/ppGRPA.f90—ppGRPAsrc/RPA/ppRRPA.f90—ppRRPAsrc/RPA/ppURPA.f90—ppURPAsrc/RPA/sort_ppRPA.f90—sort_ppRPA
test¶
src/test/check_test_value.f90—check_test_valuesrc/test/dump_test_value.f90—dump_test_valuesrc/test/init_test.f90—init_testsrc/test/run_test.f90—run_testsrc/test/stop_test.f90—stop_test
utils¶
src/utils/C_complex_DIIS_extrapolation.f90—C_complex_DIIS_extrapolationsrc/utils/DIIS_extrapolation.f90—DIIS_extrapolationsrc/utils/Gauss_Legendre.f90—cdgqf,cgqf,ch_cap,ch_eqi,ch_to_digit,class_matrix,get_unit,imtqlx,parchk,r8_gamma,r8mat_write,rule_write,s_to_i4,s_to_r8,scqf,sgqf,timestampsrc/utils/SRG_regularization.f90—SRG_reg,SRG_reg2,SRG_reg3src/utils/complex_DIIS_extrapolation.f90—complex_DIIS_extrapolationsrc/utils/complex_level_shifting.f90—complex_level_shiftingsrc/utils/complex_matout.f90—complex_matoutsrc/utils/complex_orthogonalization.f90—complex_orthogonalize_matrix,complex_complex_orthogonalize_matrix,complex_orthonormalize,complex_complex_bi_orthonormalize,complex_normalize_RPA,complex_complex_biorthonormalize_RPA,complex_gram_schmidt,complex_dot_product,complex_cholesky_decomp,complex_complex_cholesky_decompsrc/utils/complex_sort_LR_eigenvalues.f90—complex_sort_LR_eigenvaluessrc/utils/complex_sort_eigenvalues.f90—complex_sort_eigenvaluessrc/utils/complex_sort_eigenvalues_RPA.f90—complex_sort_eigenvalues_RPAsrc/utils/complex_vecout.f90—complex_vecoutsrc/utils/elements.f90—element_number,element_core,element_covalent_radiussrc/utils/level_shifting.f90—level_shiftingsrc/utils/non_sym_diag.f90—diagonalize_nonsym_matrix,check_biorthog,check_biorthog_binormalize,reorder_degen_eigvec,impose_biorthog_degen_eigvec,impose_biorthog_svd,svd_localsrc/utils/orthogonalization_matrix.f90—orthogonalization_matrixsrc/utils/orthogonalize_matrix.f90—orthogonalize_matrixsrc/utils/read_1e_integrals.f90—read_1e_integralssrc/utils/read_2e_integrals.f90—read_2e_integrals,read_2e_integrals_hpcsrc/utils/read_CAP_integrals.f90—read_CAP_integralssrc/utils/read_auxiliary_basis.f90—read_auxiliary_basissrc/utils/read_basis_pyscf.f90—read_basis_pyscfsrc/utils/read_dipole_integrals.f90—read_dipole_integralssrc/utils/read_geometry.f90—read_geometrysrc/utils/read_matin.f90—read_matinsrc/utils/read_molecule.f90—read_moleculesrc/utils/read_quadrature.f90—read_quadraturesrc/utils/sort.f90—sort_ascending,quick_sort,rec_quicksort,set_order_LR,set_ordersrc/utils/sort_eigenvalues_RPA.f90—sort_eigenvalues_RPAsrc/utils/sort_eigenvalues_vec_vec.f90—sort_eigenvalues_vec_vecsrc/utils/spatial_to_spin_ERI.f90—spatial_to_spin_ERIsrc/utils/spatial_to_spin_MO_energy.f90—spatial_to_spin_MO_energysrc/utils/spatial_to_spin_fock.f90—spatial_to_spin_focksrc/utils/utils.f90—Heaviside_step,Kronecker_delta,KroneckerDelta,diagonal_matrix,complex_diagonal_matrix,complex_identity_matrix,add_diagonal_matrix,matrix_exponential,matrix_exp,matout,matdiagout,vecout,trace_vector,trace_matrix,complex_trace_matrix,complex_ADAt,complex_DA,complex_swap_rows,compute_error,identity_matrix,prepend,complex_prepend,append,AtDA,ADAt,DA,AD,print_warning,CalcTrAB,EpsilonSwitch,KappaCross,CalcInv3,CalcInv4,wall_time,u_dot_u,ortho_qr,normalize,diag_nonsym_right,lower_casesrc/utils/wrap_lapack.f90—diagonalize_general_matrix_LR,diagonalize_general_matrix,diagonalize_matrix,diagonalize_hmatrix,complex_diagonalize_matrix,complex_diagonalize_matrix_LR,complex_diagonalize_matrix_without_sort,svd,complex_svd,inverse_matrix,pseudo_inverse_matrix,pseudo_inverse_general_matrix,complex_inverse_matrix,linear_solve,complex_linear_solve,complex_LU,easy_linear_solvesrc/utils/write_matout.f90—write_matoutsrc/utils/write_occupations.f90—write_occupations