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mirror of https://github.com/pfloos/quack synced 2024-12-24 13:23:38 +01:00
QuAcK/src/GW
2023-07-04 10:37:54 +02:00
..
Bethe_Salpeter_A_matrix_dynamic.f90 BSE@GT potentially correct 2021-12-21 13:49:41 +01:00
Bethe_Salpeter_A_matrix.f90 regularized GW 2021-12-17 11:41:40 +01:00
Bethe_Salpeter_AB_matrix_dynamic.f90 remove print 2022-01-31 13:41:07 +01:00
Bethe_Salpeter_B_matrix.f90 regularized GW 2021-12-17 11:41:40 +01:00
Bethe_Salpeter_dynamic_perturbation_iterative.f90 fix bug in iterative dynamic correction 2022-08-15 09:49:57 +02:00
Bethe_Salpeter_dynamic_perturbation.f90 dynamic BSE@GT 2022-01-11 15:23:43 +01:00
Bethe_Salpeter_pp_so.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
Bethe_Salpeter_pp.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
Bethe_Salpeter_ZA_matrix_dynamic.f90 regularized GW 2021-12-17 11:41:40 +01:00
Bethe_Salpeter_ZAB_matrix_dynamic.f90 regularized GW 2021-12-17 11:41:40 +01:00
Bethe_Salpeter.f90 implementation of BSE2@GW 2022-11-28 15:05:29 +01:00
BSE2_static_kernel_KA.f90 missing files for BSE2@GW 2022-11-28 15:21:05 +01:00
BSE2_static_kernel_KB.f90 fix bug in BSE2@GW 2023-03-13 10:10:40 +01:00
BSE_static_kernel_KA.f90 update eDFT module 2022-11-28 10:52:06 +01:00
BSE_static_kernel_KB.f90 update eDFT module 2022-11-28 10:52:06 +01:00
dSigmaC.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
dUSigmaC.f90 regularized GW 2021-12-17 11:41:40 +01:00
evGW.f90 fixing antoine 2023-07-02 16:21:14 +02:00
evUGW.f90 getting rid of G0W and GW0 2022-11-30 16:41:19 +01:00
exchange_matrix_MO_basis.f90 regularized GW 2021-12-17 11:41:40 +01:00
excitation_density.f90 openMP for GW bis 2023-03-14 14:12:19 +01:00
G0W0.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
plot_GW.f90 regularized GW 2021-12-17 11:41:40 +01:00
print_evGW.f90 regularized GW 2021-12-17 11:41:40 +01:00
print_evUGW.f90 regularized GW 2021-12-17 11:41:40 +01:00
print_G0W0.f90 regularized GW 2021-12-17 11:41:40 +01:00
print_qsGW.f90 regularized GW 2021-12-17 11:41:40 +01:00
print_qsUGW.f90 problem with rcond in DIIS fixed 2022-01-06 22:36:30 +01:00
print_UG0W0.f90 regularized GW 2021-12-17 11:41:40 +01:00
QP_graph.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
QP_roots.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
qsGW_PT.f90 regularized GW 2021-12-17 11:41:40 +01:00
qsGW.f90 getting rid of G0W and GW0 2022-11-30 16:41:19 +01:00
qsUGW.f90 getting rid of G0W and GW0 2022-11-30 16:41:19 +01:00
regularized_renormalization_factor.f90 introduce SRG regularizer in GF, GW, and GT and add option for reg MP2 2022-11-30 17:18:51 +01:00
regularized_self_energy_correlation_diag.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
regularized_self_energy_correlation.f90 introduce SRG regularizer in GF, GW, and GT and add option for reg MP2 2022-11-30 17:18:51 +01:00
renormalization_factor_so.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
renormalization_factor_SRG.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
renormalization_factor.f90 regularized GW 2021-12-17 11:41:40 +01:00
self_energy_correlation_diag_so.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
self_energy_correlation_diag.f90 regularized GW 2021-12-17 11:41:40 +01:00
self_energy_correlation_SRG.f90 add SRG files 2023-03-14 14:11:01 +01:00
self_energy_correlation.f90 openMP for GW 2023-03-14 14:11:54 +01:00
self_energy_exchange_diag.f90 spinorbital BSE@G0T0 2022-01-26 13:05:16 +01:00
self_energy_exchange.f90 regularized GW 2021-12-17 11:41:40 +01:00
SigmaC.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
soBSE.f90 adding routines for MBPT vs CC 2022-09-28 16:09:09 +02:00
soG0W0.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
SRG_qsGW.f90 trying to fix diverging version 2023-06-30 16:47:26 +02:00
static_screening_W.f90 missing files for BSE2@GW 2022-11-28 15:21:05 +01:00
static_screening_WA_so.f90 adding routines for MBPT vs CC 2022-09-28 16:09:09 +02:00
static_screening_WB_pp.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
static_screening_WB_so.f90 adding routines for MBPT vs CC 2022-09-28 16:09:09 +02:00
static_screening_WC_pp.f90 DIP- and DEA-EOM-CCD 2022-09-27 14:07:31 +02:00
static_screening_WD_pp.f90 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
ufBSE.f90 experimental files 2023-06-29 18:54:00 +02:00
ufG0W0.f90 fix conflict, nuclear energy fixed in previous commit 2023-04-20 17:03:23 +02:00
ufGW.f90 bug in ufGW and ufG0W0 2023-04-12 21:41:30 +02:00
ufXBSE.f90 experimental files 2023-06-29 18:54:00 +02:00
UG0W0.f90 regularized self-energy in UGW 2022-01-06 22:10:53 +01:00
unrestricted_Bethe_Salpeter_A_matrix_dynamic.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_Bethe_Salpeter_A_matrix.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_Bethe_Salpeter_B_matrix.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_Bethe_Salpeter_dynamic_perturbation.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_Bethe_Salpeter_ZA_matrix_dynamic.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_Bethe_Salpeter.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_excitation_density.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_QP_graph.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_regularized_renormalization_factor.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_regularized_self_energy_correlation_diag.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_regularized_self_energy_correlation.f90 fix bug in regularized self energy 2022-01-06 22:13:45 +01:00
unrestricted_renormalization_factor.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_self_energy_correlation_diag.f90 regularized GW 2021-12-17 11:41:40 +01:00
unrestricted_self_energy_correlation.f90 regularized GW 2021-12-17 11:41:40 +01:00
USigmaC.f90 regularized GW 2021-12-17 11:41:40 +01:00
XBSE_static_kernel_KA.f90 experimental files 2023-06-29 18:54:00 +02:00
XBSE_static_kernel_KB.f90 experimental files 2023-06-29 18:54:00 +02:00
XBSE.f90 experimental files 2023-06-29 18:54:00 +02:00