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mirror of https://github.com/pfloos/quack synced 2025-01-03 18:16:03 +01:00
QuAcK/src/GW
2024-11-04 11:29:41 +01:00
..
evGGW.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
evRGW.f90 more cleanup (dity up) 2024-09-10 15:11:06 +02:00
evUGW.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
GG0W0.f90 GG0T0pp 2024-09-08 17:15:27 +02:00
GGW_dSigC.f90 post-GHF methods 2023-10-26 18:00:16 +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 redundant code 2024-09-08 16:19:03 +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 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
GGW_ppBSE_static_kernel_D.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
GGW_ppBSE.f90 remove redundant code 2024-09-08 16:19:03 +02:00
GGW_QP_graph.f90 cleanup again in print 2023-11-27 23:25:10 +01:00
GGW_self_energy_diag.f90 post-GHF methods 2023-10-26 18:00:16 +02:00
GGW_self_energy.f90 working on qsGGW 2023-11-08 15:44:06 +01:00
GGW_SigC.f90 post-GHF methods 2023-10-26 18:00:16 +02:00
GGW.f90 cleaning up ufGW 2023-11-24 15:31:29 +01:00
GW_regularization.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
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 minimal changes in many files 2023-12-03 18:47:30 +01:00
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 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
qsRGW.f90 more cleanup (dity up) 2024-09-10 15:11:06 +02:00
qsUGW.f90 introduce nBas_MOs in ROHF 2024-08-28 18:39:51 +02:00
RG0W0.f90 more cleanup (dity up) 2024-09-10 15:11:06 +02:00
RGW_excitation_density.f90 fixed openmp bug 2024-09-11 10:51:37 +02:00
RGW_ImdSigC.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_ImSigC.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_phACFDT.f90 more cleanup (dity up) 2024-09-10 15:11:06 +02:00
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 renaming in GW module 2024-09-03 16:06:09 +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.f90 cleanup in RG0W0 2024-09-10 09:34:46 +02:00
RGW_plot_self_energy.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_ppBSE_dynamic_kernel_B.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_ppBSE_dynamic_kernel_C.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_ppBSE_dynamic_kernel_D.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_ppBSE_dynamic_perturbation.f90 renaming in GW module 2024-09-03 16:06:09 +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 saving work on Dav on Olympe 2024-11-04 11:29:41 +01:00
RGW_QP_graph.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_RedSigC.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_ReSigC.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_self_energy_diag.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW_self_energy.f90 renaming in GW module 2024-09-03 16:06:09 +02:00
RGW.f90 more cleanup 2024-09-10 09:40:22 +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
SRG_qsRGW.f90 more cleanup (dity up) 2024-09-10 15:11:06 +02:00
SRG_qsUGW.f90 introduce nBas_MOs in ROHF 2024-08-28 18:39:51 +02:00
SRG_self_energy.f90 commit RG0W0 2023-11-27 10:02:33 +01:00
ufBSE.f90 more cleanup 2024-09-10 09:40:22 +02:00
ufG0W0.f90 more cleanup 2024-09-10 09:40:22 +02:00
ufGW.f90 more cleanup 2024-09-10 09:40:22 +02:00
UG0W0.f90 cleanup again in print 2023-11-27 23:25:10 +01:00
UGW_dSigC.f90 add QP search in UG0W0 and evUGW 2023-10-25 13:19:21 +02:00
UGW_excitation_density.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
UGW_phACFDT.f90 rename UGW routines 2023-07-27 21:59:18 +02:00
UGW_phBSE_dynamic_kernel_A.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
UGW_phBSE_dynamic_perturbation.f90 more UGW renaming 2023-07-27 22:07:02 +02:00
UGW_phBSE_static_kernel_A.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
UGW_phBSE_static_kernel_B.f90 minimal changes in many files 2023-12-03 18:47:30 +01:00
UGW_phBSE.f90 cleanup again in print 2023-11-27 23:25:10 +01:00
UGW_QP_graph.f90 cleanup again in print 2023-11-27 23:25:10 +01:00
UGW_self_energy_diag.f90 rename UGW routines 2023-07-27 21:59:18 +02:00
UGW_self_energy.f90 rename UGW routines 2023-07-27 21:59:18 +02:00
UGW_SigC.f90 add QP search in UG0W0 and evUGW 2023-10-25 13:19:21 +02:00
UGW.f90 SRG-qsUGW 2023-12-26 19:54:04 +01:00
USRG_self_energy.f90 SRG-qsUGW 2023-12-26 19:54:04 +01:00