|
|
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 |
|
|
|
af5d4f4226
|
fixing antoine
|
2023-07-02 16:21:14 +02:00 |
|
Antoine Marie
|
545b5fb5e2
|
trying to fix diverging version
|
2023-06-30 16:47:26 +02:00 |
|
|
|
a8a8218798
|
ok with ehGT
|
2023-06-29 20:46:47 +02:00 |
|
|
|
f5d6971e1f
|
experimental files
|
2023-06-29 18:54:00 +02:00 |
|
|
|
f998fb3a13
|
remove self-screening correction
|
2023-04-12 22:29:10 +02:00 |
|
|
|
a1b4abf10a
|
fix bug in BSE2@GW
|
2023-03-13 10:10:40 +01:00 |
|
|
|
c130e3a352
|
fix bug in CCGW
|
2022-12-06 09:15:32 +01:00 |
|
|
|
196e4c917a
|
introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
|
2022-11-30 17:18:51 +01:00 |
|
|
|
597c4a9885
|
getting rid of G0W and GW0
|
2022-11-30 16:41:43 +01:00 |
|
|
|
733e2794ec
|
BeO
|
2022-11-29 16:01:02 +01:00 |
|
