10
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:34:46 +01:00
Commit Graph

933 Commits

Author SHA1 Message Date
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
2ae4f95500 new format for integrals write in file 2023-09-08 11:02:51 +02:00
324298fd84 double float precision integrals 2023-09-08 10:04:04 +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
69f9eaac94 Merge branch 'master' of github.com:pfloos/QuAcK 2023-09-06 13:34:12 +02:00
c19aff3a32 change multiplicty option to 2S+1 2023-09-06 13:33:41 +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
8ffa4ff1a8 fix python script for open shell 2023-09-06 11:40:26 +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
ea1fd8eebe
Update README.md 2023-08-28 16:17:11 +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
e449be4d18 unrestricted GTpp methods 2023-07-30 22:21:23 +02:00
b3ebe98ede
Update README.md 2023-07-30 22:20:29 +02:00
d4b5406dd5
Update README.md 2023-07-30 22:19:43 +02:00
d95ec296b6
Update README.md 2023-07-30 22:18:57 +02:00
6d17b1b4eb
Update README.md 2023-07-30 22:17:59 +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