PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2025-05-06 15:14:55 +02:00
Code Releases Activity
QuAcK/src/GW
History
Loris Burth 92089b21dc merge conflicts and bug fixing
2025-04-29 14:43:06 +02:00
..
ccRG0W0_TDA.f90
saving
2024-10-01 09:42:25 +02:00
ccRG0W0.f90
rename phLR -> phRLR
2024-12-19 10:03:40 +01:00
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
complex_cRG0W0.f90
Added SRG for complex GW methods
2025-04-22 19:58:53 +02:00
complex_evRGW.f90
Added SRG for complex GW methods
2025-04-22 19:58:53 +02:00
complex_qsRGW.f90
reset flow value
2025-04-26 19:00:20 +02:00
complex_RGW_excitation_density.f90
First go for fully complex RG0W0
2025-04-02 10:45:46 +02:00
complex_RGW_plot_self_energy.f90
debugging
2025-04-17 14:00:33 +02:00
complex_RGW_QP_graph.f90
Added SRG for complex GW methods
2025-04-22 19:58:53 +02:00
complex_RGW_self_energy_diag.f90
bug fix in self energy and parallelisation of self energy
2025-04-23 15:05:25 +02:00
complex_RGW_self_energy.f90
bug fix in self energy and parallelisation of self energy
2025-04-23 15:05:25 +02:00
complex_RGW_SigC_dSigC.f90
bug fix in self energy and parallelisation of self energy
2025-04-23 15:05:25 +02:00
complex_RGW_SRG_self_energy_diag.f90
bug fix in self energy and parallelisation of self energy
2025-04-23 15:05:25 +02:00
complex_RGW_SRG_self_energy.f90
bug fix in self energy and parallelisation of self energy
2025-04-23 15:05:25 +02:00
complex_RGW_SRG_SigC_dSigC.f90
bug fix in self energy and parallelisation of self energy
2025-04-23 15:05:25 +02:00
complex_RGW.f90
first qsGW version + cleaner data allocation to avoid warnings
2025-04-16 17:54:18 +02:00
cRG0W0.f90
Print functions and memory allocation for complex/real methods
2025-03-26 11:01:02 +01:00
cRGW_Im_dSigC.f90
G0W0 with CAP correction
2025-03-18 14:39:07 +01:00
cRGW_Im_SigC.f90
G0W0 with CAP correction
2025-03-18 14:39:07 +01:00
cRGW_QP_graph.f90
undid sign change
2025-03-27 10:58:47 +01:00
cRGW_Re_dSigC.f90
G0W0 with CAP correction
2025-03-18 14:39:07 +01:00
cRGW_Re_SigC.f90
G0W0 with CAP correction
2025-03-18 14:39:07 +01:00
cRGW_self_energy_diag.f90
undid sign change
2025-03-27 10:58:47 +01:00
evGGW.f90
fix bug in SRG
2024-09-11 21:40:38 +02:00
evRGW.f90
rename phLR -> phRLR
2024-12-19 10:03:40 +01:00
evUGW.f90
fix bug in SRG in U branch
2024-09-11 21:58:25 +02:00
GG0W0.f90
GW alternatif
2025-04-23 14:19:29 +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
GW alternatif
2025-04-23 14:19:29 +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
DIIS in parquet - working on it
2025-03-25 10:31:17 +01:00
print_complex_cRG0W0.f90
init plot complex greens function
2025-04-14 11:30:00 +02:00
print_complex_evRGW.f90
some print changes
2025-04-16 13:29:01 +02:00
print_complex_qsRGW.f90
first qsGW version + cleaner data allocation to avoid warnings
2025-04-16 17:54:18 +02:00
print_cRG0W0.f90
Print functions and memory allocation for complex/real methods
2025-03-26 11:01:02 +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
ok for now with SRG
2024-09-11 22:13:45 +02:00
print_qsRGW.f90
proper printing routine for 1b parquet
2025-03-31 21:31:59 +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
rename phLR -> phRLR
2024-12-19 10:03:40 +01:00
qsUGW.f90
fix bug in SRG in U branch
2024-09-11 21:58:25 +02:00
RG0W0.f90
merge conflicts
2025-04-29 14:09:29 +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
rename phLR -> phRLR
2024-12-19 10:03:40 +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
rename phLR -> phRLR
2024-12-19 10:03:40 +01:00
RGW_plot_self_energy.f90
blub
2025-04-22 16:04:31 +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
rename phLR -> phRLR
2024-12-19 10:03:40 +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
Added SRG for complex GW methods
2025-04-22 19:58:53 +02:00
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
Added SRG for complex GW methods
2025-04-22 19:58:53 +02:00
RGW.f90
merge conflicts and bug fixing
2025-04-29 14:43:06 +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
rename phLR -> phRLR
2024-12-19 10:03:40 +01:00
ufRGW.f90
rename phLR -> phRLR
2024-12-19 10:03:40 +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