|
|
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 |
|
|
|
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 |
|
|
|
9f7a9f5c21
|
fix plot mistake
|
2023-08-24 11:18:12 +02:00 |
|
|
|
7efca56054
|
plotting routines
|
2023-08-24 00:02:23 +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 |
|
|
|
f3f97a1daf
|
kappa in reg
|
2023-08-01 17:18:10 +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 |
|
|
|
2d61eaa29f
|
clean up UGW
|
2023-07-30 22:01:44 +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 |
|
|
|
4576ee06c3
|
rename LR routines
|
2023-07-28 14:14:35 +02:00 |
|
|
|
9c7725a0d9
|
more UGW renaming
|
2023-07-27 22:07:02 +02:00 |
|
|
|
eee5f6bac8
|
rename UGW routines
|
2023-07-27 21:59:18 +02:00 |
|
|
|
6b56acf66b
|
updating Z in QP roots
|
2023-07-27 21:23:40 +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 |
|
|
|
412e49f643
|
fix bug in ppBSE@GW
|
2023-07-24 22:40:00 +02:00 |
|
|
|
2ecc80a278
|
dynamic ppBSE@GW
|
2023-07-24 22:34:52 +02:00 |
|
|
|
b53f18fa79
|
ppBSE dynamic kernel B and D
|
2023-07-24 21:46:03 +02:00 |
|
|
|
c0da089370
|
ppBSE dynamic kernel B and D
|
2023-07-24 21:45:51 +02:00 |
|
|
|
d601d16dc5
|
ppBSE dynamic kernel C
|
2023-07-24 15:21:21 +02:00 |
|
|
|
f0dda32d67
|
ppBSE kernel
|
2023-07-24 15:01:54 +02:00 |
|
|
|
bd6fdf87f1
|
remove ERI_AO in GW GT
|
2023-07-23 23:10:57 +02:00 |
|
|
|
4de7d1882d
|
fix bug in HF diis
|
2023-07-23 22:03:42 +02:00 |
|
|
|
eb59072a2c
|
cleanup
|
2023-07-23 18:03:15 +02:00 |
|
|
|
f515261c88
|
GT and GW modules
|
2023-07-23 17:41:44 +02:00 |
|
|
|
ed08450661
|
RPA module
|
2023-07-23 11:16:42 +02:00 |
|
|
|
b5ccfb734a
|
remove Vxc and SigX and rename routines in UGT
|
2023-07-22 21:40:19 +02:00 |
|
|
|
1ea1d49a4e
|
rename UGF routines
|
2023-07-22 21:02:59 +02:00 |
|
|
|
3a18f3e28a
|
rename UAC routines
|
2023-07-22 19:41:45 +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 |
|
|
|
c476b258ff
|
rename ULR routines
|
2023-07-21 13:04:29 +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 |
|
|
|
4e7cb25352
|
move exchange
|
2023-07-20 21:54:09 +02:00 |
|
|
|
5f0fad74d4
|
remove QP_roots
|
2023-07-20 21:51:58 +02:00 |
|
|
|
600eb557b2
|
remove plot_GW
|
2023-07-20 21:50:41 +02:00 |
|
