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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
Commit Graph

273 Commits

Author SHA1 Message Date
Pierre-Francois Loos
4c9841c5cd evGGF2 and evGGW 2023-10-27 13:56:53 +02:00
c7093e0c2c BSE@GHF 2023-10-26 23:28:53 +02:00
5bf12265b5 S^2 in GHF 2023-10-26 22:07:55 +02:00
9d28c496b9 print GHF 2023-10-26 21:32:34 +02:00
Pierre-Francois Loos
5b8c0d542c post-GHF methods 2023-10-26 18:00:16 +02:00
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
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
83e5c9b07c fix bug in UG0W0 2023-10-23 21:36:07 +02:00
76db32142b more clean up 2023-09-07 22:28:47 +02:00
c8c95ff439 modify lin vs qp solutions 2023-09-07 14:01:58 +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
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
9e65d4a090 cleaning prints and fix bug in regularization 2023-08-01 21:32:57 +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
2d61eaa29f clean up UGW 2023-07-30 22:01:44 +02:00
6c4c526995 cleanup QuAcK main module 2023-07-29 09:24:55 +02:00
68e6f02ae2 clean print excitations 2023-07-28 14:35:14 +02:00
6b56acf66b updating Z in QP roots 2023-07-27 21:23:40 +02:00
4fec6e88f5 clean up GTpp 2023-07-27 19:17:20 +02:00
ee0cb0fd6a fix root search 2023-07-27 17:43:18 +02:00
044058ac66 root search for GTeh 2023-07-27 16:43:15 +02:00
0a212628c3 fix memory leaks in ppBSE 2023-07-27 10:11:35 +02:00
91c6e7db40 ppBSE2@GF2 2023-07-25 10:46:56 +02:00
09e04f3f53 bug in qsGW 2023-07-22 11:49:06 +02:00
b010c872fc remove COHSEX completely 2023-07-21 22:54:53 +02:00
34fb993302 clean up GTeh 2023-07-21 20:38:49 +02:00
5660146de5 clean up GW and GT 2023-07-21 12:30:29 +02:00
1d9725546d fix bug in ppBSE 2023-07-21 12:00:08 +02:00
d11bebafe1 fix bug in non-TDA dBSE@GW 2023-07-21 11:28:12 +02:00
6cc9802d00 include B term in phBSE2@GW 2023-07-21 11:18:00 +02:00
d7e059c330 remove useless routines in dBSE@GW 2023-07-21 10:47:36 +02:00
d8678bfe4f fix bug in dBSE@GW 2023-07-21 10:45:10 +02:00
46ab457dc2 remove evDyn and cleanup dBSE@GW 2023-07-21 10:21:54 +02:00
3103f786d6 fix bug 2023-07-20 16:03:09 +02:00
092a3f5e6d OK with LR in RPA routines 2023-07-18 11:53:38 +02:00
266be65f2e OK for ppLR 2023-07-18 09:59:25 +02:00
2c7653b7bc add HF module 2023-07-17 13:35:24 +02:00
ae540679cd more renaming 2023-07-12 23:16:37 +02:00
d207fb5173 renaming LR routines and fix bug in Z GW 2023-07-12 13:34:10 +02:00
06df6109fa add optimization in GT 2023-07-10 11:53:42 +02:00
490dd13c0d remove SOSEX 2023-07-04 10:37:54 +02:00
812721e5d9 rename GTpp routines 2023-07-04 10:32:47 +02:00
2fc348ebe4 qsGTeh 2023-07-04 09:27:35 +02:00
b701886e5c fix 2 bugs en GTeh 2023-07-04 08:29:16 +02:00