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mirror of https://github.com/pfloos/quack synced 2024-12-22 12:23:42 +01:00
QuAcK/src/GW
2024-11-05 07:56:10 +01:00
..
ccRG0W0_TDA.f90 saving 2024-10-01 09:42:25 +02:00
ccRG0W0.f90 saving 2024-10-01 09:42:25 +02:00
ccRGW_mat.f90 saving work in CCGW 2024-09-16 23:32:38 +02:00
ccRGW.f90 CC-based GW 2024-09-16 22:30:23 +02:00
eomRG0W0.f90 new logo 2024-09-19 17:09:20 +02:00
evGGW.f90 fix bug in SRG 2024-09-11 21:40:38 +02:00
evRGW.f90 ppBSE GT 2024-10-30 09:36:36 +01:00
evUGW.f90 fix bug in SRG in U branch 2024-09-11 21:58:25 +02:00
GG0W0.f90 fix bug in SRG 2024-09-11 21:40:38 +02:00
GGW_excitation_density.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
GGW_phBSE_static_kernel_A.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
GGW_phBSE_static_kernel_B.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
GGW_phBSE.f90 remove SRG-qsGW methods 2024-09-11 17:58:36 +02:00
GGW_ppBSE_dynamic_kernel_B.f90 full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb 2024-11-04 17:00:51 +01:00
GGW_ppBSE_dynamic_kernel_C.f90 full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb 2024-11-04 17:00:51 +01:00
GGW_ppBSE_dynamic_kernel_D.f90 ppBSE dynamic correction for the block D is working 2024-10-25 14:44:35 +02:00
GGW_ppBSE_dynamic_perturbation.f90 ppBSE dynamic correction for the block D is working 2024-10-25 14:44:35 +02:00
GGW_ppBSE_static_kernel_B.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
GGW_ppBSE_static_kernel_C.f90 saving work in ppBSE@GW 2024-09-26 23:04:45 +02:00
GGW_ppBSE_static_kernel_D.f90 ppBSE dynamic correction for the block D is working 2024-10-25 14:44:35 +02:00
GGW_ppBSE_upfolded.f90 typo flow RG0W0 2024-09-27 15:31:38 +02:00
GGW_ppBSE.f90 ppBSE dynamic correction for the block D is working 2024-10-25 14:44:35 +02:00
GGW_QP_graph.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
GGW_Re_dSigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
GGW_Re_SigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
GGW_self_energy_diag.f90 post-GHF methods 2023-10-26 18:00:16 +02:00
GGW_self_energy.f90 q -> p in GGW_self_energy 2024-11-05 07:48:49 +01:00
GGW_SRG_Re_dSigC.f90 fix bug in SRG 2024-09-11 21:40:38 +02:00
GGW_SRG_Re_SigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
GGW_SRG_self_energy_diag.f90 working on SRG for GW 2024-09-11 18:41:27 +02:00
GGW_SRG_self_energy.f90 working on SRG for GW 2024-09-11 18:41:27 +02:00
GGW.f90 remove SRG-qsGW methods 2024-09-11 17:58:36 +02:00
print_evGGW.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
print_evRGW.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
print_evUGW.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
print_GG0W0.f90 fix HOMO LUMO print in GG0W0 2023-12-31 11:35:56 +01:00
print_qsGGW.f90 ok for now with SRG 2024-09-11 22:13:45 +02:00
print_qsRGW.f90 RHF in nOrb representation has been tested 2024-09-01 13:50:29 +02:00
print_qsUGW.f90 SRG-qsUGW 2023-12-26 19:54:04 +01:00
print_RG0W0.f90 change print HOMO LUMO in UHF and G0W0 2023-12-26 12:37:56 +01:00
print_UG0W0.f90 change print HOMO LUMO in UHF and G0W0 2023-12-26 12:37:56 +01:00
qsGGW.f90 ok for now with SRG 2024-09-11 22:13:45 +02:00
qsRGW.f90 ppBSE GT 2024-10-30 09:36:36 +01:00
qsUGW.f90 fix bug in SRG in U branch 2024-09-11 21:58:25 +02:00
RG0W0.f90 typo flow RG0W0 2024-09-27 15:31:38 +02:00
RGW_excitation_density.f90 fixed openmp bug 2024-09-11 10:51:37 +02:00
RGW_Im_dSigC.f90 fix bug in ppBSE dynamic kernel and subroutine names 2024-09-12 15:46:11 +02:00
RGW_Im_SigC.f90 fix bug in ppBSE dynamic kernel and subroutine names 2024-09-12 15:46:11 +02:00
RGW_phACFDT.f90 debuging UACFDT 2024-10-31 12:15:01 +01:00
RGW_phBSE2_dynamic_kernel_A.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE2_dynamic_kernel_B.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE2_static_kernel_A.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE2_static_kernel_B.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE_dynamic_kernel_A.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE_dynamic_kernel_B.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE_dynamic_perturbation.f90 symmetrized upfolded phBSE scheme 2024-09-14 23:25:38 +02:00
RGW_phBSE_static_kernel_A.f90 karlsruhe XBS version 2024-09-10 14:35:45 +02:00
RGW_phBSE_static_kernel_B.f90 karlsruhe XBS version 2024-09-10 14:35:45 +02:00
RGW_phBSE_static_kernel.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phBSE_upfolded_sym.f90 symmetrized upfolded phBSE scheme 2024-09-14 23:25:38 +02:00
RGW_phBSE_upfolded.f90 symmetrized upfolded phBSE scheme 2024-09-14 23:25:38 +02:00
RGW_phBSE.f90 one micro modif in RGW_phBSE 2024-10-31 19:36:08 +01:00
RGW_plot_self_energy.f90 fix bug in ppBSE dynamic kernel and subroutine names 2024-09-12 15:46:11 +02:00
RGW_ppBSE_dynamic_kernel_B.f90 full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb 2024-11-04 17:00:51 +01:00
RGW_ppBSE_dynamic_kernel_C.f90 full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb 2024-11-04 17:00:51 +01:00
RGW_ppBSE_dynamic_kernel_D.f90 full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb 2024-11-04 17:00:51 +01:00
RGW_ppBSE_dynamic_perturbation.f90 save modified file to pull 2024-10-10 09:53:32 +02:00
RGW_ppBSE_static_kernel_B.f90 Davidson refact + add BSEpp@GW kernels (naive version) 2024-09-10 16:27:49 +02:00
RGW_ppBSE_static_kernel_C.f90 Davidson refact + add BSEpp@GW kernels (naive version) 2024-09-10 16:27:49 +02:00
RGW_ppBSE_static_kernel_D.f90 Davidson refact + add BSEpp@GW kernels (naive version) 2024-09-10 16:27:49 +02:00
RGW_ppBSE.f90 remove warnings 2024-11-04 19:30:06 +01:00
RGW_QP_graph.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
RGW_Re_dSigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
RGW_Re_SigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
RGW_self_energy_diag.f90 fix bug in SRG 2024-09-11 21:40:38 +02:00
RGW_self_energy.f90 q -> p in RGW_self_energy 2024-11-05 07:56:10 +01:00
RGW_SRG_Re_dSigC.f90 fix bug in SRG 2024-09-11 21:40:38 +02:00
RGW_SRG_Re_SigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
RGW_SRG_self_energy_diag.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
RGW_SRG_self_energy.f90 working on SRG for GW 2024-09-11 18:41:27 +02:00
RGW.f90 remove ccGW for now 2024-10-11 15:34:35 +02:00
RGWC.f90 fix bug in GW+C 2024-02-21 20:55:10 +01:00
self_energy_exchange_diag.f90 more cleanup 2023-07-28 15:00:17 +02:00
self_energy_exchange.f90 more cleanup 2023-07-28 15:00:17 +02:00
ufRG0W0.f90 remove warnings 2024-11-04 19:30:06 +01:00
ufRGW.f90 remove warnings 2024-11-04 19:30:06 +01:00
UG0W0.f90 cleaning 2024-10-30 10:08:39 +01:00
UGW_excitation_density.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
UGW_phACFDT.f90 debuging UACFDT 2024-10-31 12:15:01 +01:00
UGW_phBSE_dynamic_kernel_A.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
UGW_phBSE_dynamic_perturbation.f90 symmetrized upfolded phBSE scheme 2024-09-14 23:25:38 +02:00
UGW_phBSE_static_kernel_A.f90 one micro modif in RGW_phBSE 2024-10-31 19:36:08 +01:00
UGW_phBSE_static_kernel_B.f90 one micro modif in RGW_phBSE 2024-10-31 19:36:08 +01:00
UGW_phBSE.f90 fix stupid bug in UGW static kernel 2024-10-30 09:28:39 +01:00
UGW_QP_graph.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
UGW_Re_dSigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
UGW_Re_SigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
UGW_self_energy_diag.f90 fix bug in SRG in U branch 2024-09-11 21:58:25 +02:00
UGW_self_energy.f90 fix bug in SRG in U branch 2024-09-11 21:58:25 +02:00
UGW_SRG_Re_dSigC.f90 fix bug in SRG 2024-09-11 21:40:38 +02:00
UGW_SRG_Re_SigC.f90 QP search for SRG done 2024-09-11 20:35:07 +02:00
UGW_SRG_self_energy_diag.f90 working on SRG for GW 2024-09-11 18:41:27 +02:00
UGW_SRG_self_energy.f90 working on SRG for GW 2024-09-11 18:41:27 +02:00
UGW.f90 remove SRG-qsGW methods 2024-09-11 17:58:36 +02:00