|
|
0b892dbe31
|
restructuration QuAcK for restricted and unrestricted branches
|
2023-10-25 21:38:20 +02:00 |
|
|
|
4d8b25dfea
|
add QP search in UG0W0 and evUGW
|
2023-10-25 13:19:21 +02:00 |
|
|
|
1be31c72f4
|
fix for real bug in AOtoMO transform for unrestricted case
|
2023-10-25 10:38:29 +02:00 |
|
|
|
5d0441e850
|
fix bug in qsUGW and evUGW
|
2023-10-25 00:05:17 +02:00 |
|
Pierre-Francois Loos
|
1084fcebea
|
fix bug... maybe
|
2023-10-24 17:03:41 +02:00 |
|
Pierre-Francois Loos
|
95a3715a3f
|
fix UHF
|
2023-10-24 14:39:02 +02:00 |
|
|
|
83e5c9b07c
|
fix bug in UG0W0
|
2023-10-23 21:36:07 +02:00 |
|
|
|
120377f611
|
new LR convention in SRG-qsGW
|
2023-10-04 16:07:29 +02:00 |
|
|
|
be16946f90
|
eta is internal parameter in plots
|
2023-10-04 08:41:54 +02:00 |
|
|
|
28e8b5c2cc
|
remove ROpCCD
|
2023-10-02 21:54:10 +02:00 |
|
|
|
665f494dd5
|
fix QP graph everywhere
|
2023-10-02 21:45:02 +02:00 |
|
|
|
354afba786
|
fix QP graph everywhere
|
2023-10-02 21:41:37 +02:00 |
|
|
|
cf3b2cba58
|
fix QP graph in GW
|
2023-10-02 21:37:25 +02:00 |
|
Pierre-Francois Loos
|
9252fdd14c
|
typo phBSE dynamic B block
|
2023-09-14 14:37:37 +02:00 |
|
|
|
76db32142b
|
more clean up
|
2023-09-07 22:28:47 +02:00 |
|
|
|
a3bff66372
|
change update of GF2 denominator
|
2023-09-07 15:37:19 +02:00 |
|
|
|
40c36b1af3
|
fix print in QP search
|
2023-09-07 14:15:31 +02:00 |
|
|
|
c8c95ff439
|
modify lin vs qp solutions
|
2023-09-07 14:01:58 +02:00 |
|
|
|
4eaf01c81a
|
fix typo in ROHF print
|
2023-09-06 13:23:25 +02:00 |
|
|
|
a18dfa5545
|
OK with ROHF
|
2023-09-06 13:19:49 +02:00 |
|
|
|
66913f9a37
|
OK with ROHF
|
2023-09-06 13:16:44 +02:00 |
|
|
|
4e057b71f5
|
print ROHF
|
2023-09-06 12:22:53 +02:00 |
|
|
|
07208d9b68
|
remove pCCDso
|
2023-09-06 11:19:01 +02:00 |
|
|
|
00049621ff
|
fix bug in ROHF
|
2023-09-06 09:50:29 +02:00 |
|
|
|
99cbd0e95d
|
ROHF not yet debugged
|
2023-09-05 17:23:40 +02:00 |
|
|
|
c046bc277c
|
more clean up in QP root search
|
2023-08-24 12:14:07 +02:00 |
|
|
|
7b30127e21
|
fix plot mistake
|
2023-08-24 11:57:19 +02:00 |
|
|
|
e19e870805
|
fix root search in GTpp and plot routine
|
2023-08-24 11:46:45 +02:00 |
|
|
|
9f7a9f5c21
|
fix plot mistake
|
2023-08-24 11:18:12 +02:00 |
|
|
|
7efca56054
|
plotting routines
|
2023-08-24 00:02:23 +02:00 |
|
|
|
b96f11ad2d
|
fix bug in sc eh T-matrix modules
|
2023-08-23 16:04:00 +02:00 |
|
|
|
f631f1711b
|
modify print in GTeh
|
2023-08-22 22:30:11 +02:00 |
|
Antoine Marie
|
c4a01b8a12
|
switch back compiler
|
2023-08-21 10:57:17 +02:00 |
|
Antoine Marie
|
ddb24ecf99
|
fixing openmp bugs and some warning
|
2023-08-21 10:54:33 +02:00 |
|
|
|
9e65d4a090
|
cleaning prints and fix bug in regularization
|
2023-08-01 21:32:57 +02:00 |
|
|
|
e02624c646
|
regularization in GF2
|
2023-08-01 17:38:35 +02:00 |
|
|
|
f3f97a1daf
|
kappa in reg
|
2023-08-01 17:18:10 +02:00 |
|
|
|
f3f2135074
|
GT regularization
|
2023-08-01 17:15:44 +02:00 |
|
|
|
9b48d07f26
|
GTeh regularization
|
2023-08-01 17:00:03 +02:00 |
|
|
|
01d8e28ca2
|
fixing GW regularization
|
2023-08-01 16:30:41 +02:00 |
|
|
|
0dfa3b0071
|
clean up in RPA
|
2023-07-31 16:01:12 +02:00 |
|
|
|
29f3312cfc
|
remove useless routines
|
2023-07-31 14:47:09 +02:00 |
|
|
|
5620965a87
|
merge self-energy and Z in UGTpp
|
2023-07-31 09:23:43 +02:00 |
|
|
|
e409b30699
|
fix printing bug
|
2023-07-30 22:14:28 +02:00 |
|
|
|
2d61eaa29f
|
clean up UGW
|
2023-07-30 22:01:44 +02:00 |
|
|
|
76230b7990
|
cleanup read_methods
|
2023-07-29 09:28:22 +02:00 |
|
|
|
6c4c526995
|
cleanup QuAcK main module
|
2023-07-29 09:24:55 +02:00 |
|
|
|
54adecd2a5
|
more cleanup
|
2023-07-28 15:01:14 +02:00 |
|
|
|
49fedf3307
|
more cleanup
|
2023-07-28 15:00:17 +02:00 |
|
|
|
68e6f02ae2
|
clean print excitations
|
2023-07-28 14:35:14 +02:00 |
|
