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 |
|
|
|
76230b7990
|
cleanup read_methods
|
2023-07-29 09:28:22 +02:00 |
|
|
|
7aa52da10d
|
Merge branch 'master' of github.com:pfloos/QuAcK
|
2023-07-29 09:25:01 +02:00 |
|
|
|
6c4c526995
|
cleanup QuAcK main module
|
2023-07-29 09:24:55 +02:00 |
|
|
|
3c3bb0004e
|
new logo
|
2023-07-28 22:44:59 +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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
866ed94153
|
add S2
|
2023-07-27 11:38:56 +02:00 |
|
|
|
d738e335ba
|
clean up
|
2023-07-27 11:38:38 +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 |
|
|
|
991e975f86
|
ppBSE@GF2 static kernels
|
2023-07-24 13:57:56 +02:00 |
|
|
|
2aa079ceb0
|
ppBSE@GF2 B block
|
2023-07-24 13:38:18 +02:00 |
|
|
|
4bb6dd20c5
|
ppBSE@GF2 C and D blocks
|
2023-07-24 13:02:24 +02:00 |
|
|
|
bd6fdf87f1
|
remove ERI_AO in GW GT
|
2023-07-23 23:10:57 +02:00 |
|
|
|
53ac297aa0
|
rename n_diis in max_diis in read_options
|
2023-07-23 22:05:38 +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 |
|
|
|
aa1d3c90bc
|
module GF
|
2023-07-23 11:58:18 +02:00 |
|
