Abdallah Ammar
|
8e26c35826
|
added Olympe comf
|
2024-08-22 16:48:15 +02:00 |
|
Abdallah Ammar
|
af65a4d69c
|
GW_ppBSE_static_kernel_C for ispin = 2
|
2024-08-22 16:44:16 +02:00 |
|
Abdallah Ammar
|
bb4729192e
|
GW_ppBSE_static_kernel_C for ispin = 1
|
2024-08-22 15:23:08 +02:00 |
|
Abdallah Ammar
|
992e3dff4b
|
optim in AdAt
|
2024-08-21 13:51:12 +02:00 |
|
Abdallah Ammar
|
a1786b2ade
|
rm print ispin
|
2024-08-21 09:13:25 +02:00 |
|
Abdallah Ammar
|
8e6b5ed103
|
rm print ispin
|
2024-08-21 09:12:22 +02:00 |
|
Abdallah Ammar
|
5a738f00b9
|
OpenMP -> DGEMM for ispin=2,4 in GTpp_excitation_density
|
2024-08-21 09:06:00 +02:00 |
|
Abdallah Ammar
|
4fadf5c1bb
|
OpenMP -> DGEMM for ispin=2,4 in GTpp_excitation_density
|
2024-08-21 09:03:40 +02:00 |
|
Abdallah Ammar
|
c9fa0470aa
|
rm time printing
|
2024-08-19 19:32:33 +02:00 |
|
Abdallah Ammar
|
635e7ae457
|
rho1 & rho2: use DGEMM instead of OpenMP
|
2024-08-19 19:22:37 +02:00 |
|
Abdallah Ammar
|
50bfb261ca
|
add OpenMP + Collapse
|
2024-08-19 18:44:03 +02:00 |
|
Abdallah Ammar
|
989bd99f17
|
saving tmp
|
2024-08-19 18:11:39 +02:00 |
|
|
|
7643ef3c2f
|
debug grad and code hessian in pccd
|
2024-08-18 22:44:58 +02:00 |
|
|
|
68826076cc
|
implement energy and gradient in pCCD
|
2024-08-18 16:00:46 +02:00 |
|
|
|
42565f95f1
|
implement 1RDM and 2RDM for pCCD
|
2024-08-16 19:05:11 +02:00 |
|
|
|
0283032a52
|
saving working in static ppBSE@GF2
|
2024-07-11 09:51:44 +02:00 |
|
|
|
74149ca15b
|
saving work
|
2024-07-04 15:32:38 +02:00 |
|
Pierre-Francois Loos
|
a972877eac
|
looking for wrong sign
|
2024-07-04 14:11:04 +02:00 |
|
Pierre-Francois Loos
|
719de655cc
|
saving work in ppBSE
|
2024-07-04 13:59:06 +02:00 |
|
Pierre-Francois Loos
|
6caba52805
|
working on dBSE beyond TDA
|
2024-07-04 13:21:45 +02:00 |
|
Pierre-Francois Loos
|
8db4d285f7
|
ppBSE2 beyond TDA
|
2024-07-04 11:22:41 +02:00 |
|
Pierre-Francois Loos
|
2a668b4d40
|
pp-dBSE beyond TDA
|
2024-07-04 10:41:57 +02:00 |
|
Antoine Marie
|
38a83e4a1d
|
change one print in ppLR to allow for more decimals
|
2024-07-03 17:06:54 +02:00 |
|
|
|
7a1238669d
|
stop .dat print in GW
|
2024-07-03 17:00:12 +02:00 |
|
Antoine Marie
|
e671874b5a
|
comment old print in pprpa
|
2024-07-03 16:48:39 +02:00 |
|
|
|
e6799bdc32
|
restore default files
|
2024-07-03 16:46:18 +02:00 |
|
|
|
6a7e7fb602
|
debug TDAppBSEDynamicGW
|
2024-07-03 16:43:41 +02:00 |
|
Pierre-Francois Loos
|
5c5c1aa6d6
|
modifs with antoine
|
2024-07-02 14:41:12 +02:00 |
|
Pierre-Francois Loos
|
a2a63862c1
|
saving cRHF
|
2024-04-22 15:59:02 +02:00 |
|
Pierre-Francois Loos
|
7e633ed6da
|
CAP integrals
|
2024-04-22 15:35:15 +02:00 |
|
|
|
6a00d176df
|
start cRHF
|
2024-04-21 22:29:18 +02:00 |
|
|
|
cea30b737c
|
start cRHF
|
2024-04-21 22:29:07 +02:00 |
|
|
|
1e06c7eb45
|
ok with GW+C
|
2024-02-21 21:57:48 +01:00 |
|
|
|
c055cd8521
|
fix bug in GW+C
|
2024-02-21 20:55:10 +01:00 |
|
Pierre-Francois Loos
|
4f07be96f7
|
RGWC
|
2024-02-21 17:49:43 +01:00 |
|
Pierre-Francois Loos
|
6cff335591
|
debugging GW+C
|
2024-02-21 16:32:13 +01:00 |
|
|
|
6027b12ce2
|
GW+C
|
2024-02-19 14:08:50 +01:00 |
|
|
|
940544b16f
|
save GWC
|
2024-02-08 23:04:27 +01:00 |
|
|
|
a40b49fe9e
|
samll modifs in GW+C
|
2024-02-08 19:21:29 +01:00 |
|
Pierre-Francois Loos
|
0e974dcfdb
|
clean up RGWC
|
2024-02-08 16:42:44 +01:00 |
|
Pierre-Francois Loos
|
959cc22535
|
fix GW+C
|
2024-02-02 17:23:26 +01:00 |
|
|
|
5b704e91ea
|
small changes in cumulant
|
2024-01-31 23:15:13 +01:00 |
|
|
|
990cf8462b
|
cleaning up GW+C
|
2024-01-30 12:06:21 +01:00 |
|
|
|
437c5d19c1
|
remove useless routine
|
2024-01-30 10:16:42 +01:00 |
|
|
|
5562c341f6
|
fix GW+C spectral function
|
2024-01-29 23:01:10 +01:00 |
|
|
|
6680cc84dd
|
GW+C spectral function
|
2024-01-29 17:20:57 +01:00 |
|
|
|
c2fc694fdb
|
GW spectal function
|
2024-01-29 15:23:34 +01:00 |
|
|
|
7f4268a185
|
GW_ImSigC.f90
|
2024-01-29 15:19:30 +01:00 |
|
|
|
a1286af824
|
additional geometries
|
2024-01-18 22:31:16 +01:00 |
|
|
|
ff14632ddc
|
add GW+C in evGW
|
2024-01-18 17:38:05 +01:00 |
|
