|
|
60e12c091a
|
Merge branch 'master' of https://github.com/pfloos/QuAcK
|
2022-02-07 10:47:03 +01:00 |
|
|
|
2325131fb0
|
UG0T0
|
2022-02-07 10:46:43 +01:00 |
|
Clotilde Marut
|
82fd7c5fb4
|
merge with T2
|
2022-02-07 10:45:18 +01:00 |
|
Clotilde Marut
|
5b436558ed
|
CC-B88 kappa in DD and many other things
|
2022-02-07 10:40:50 +01:00 |
|
|
|
21c1ceb975
|
fix ACFDT for Tmatrix
|
2022-02-03 10:05:58 +01:00 |
|
|
|
03f41ef20c
|
level shift and proper guess
|
2022-02-02 15:06:51 +01:00 |
|
|
|
a1e81ab7e5
|
clean BSE2
|
2022-02-01 11:42:31 +01:00 |
|
|
|
eca248d34d
|
remove print
|
2022-01-31 13:41:07 +01:00 |
|
|
|
f7718c8ab1
|
clean linear response and static BSE2 kernel
|
2022-01-31 13:19:42 +01:00 |
|
|
|
23e520cea9
|
ppURPA cleaner
|
2022-01-29 13:51:06 +01:00 |
|
|
|
0924ce1b3d
|
clean ppURPA
|
2022-01-29 11:47:35 +01:00 |
|
|
|
df5345e570
|
spinorbital BSE@G0T0
|
2022-01-26 13:05:16 +01:00 |
|
Pierre-Francois Loos
|
0f7cde9766
|
fix bug in eDFT rcond not initialized
|
2022-01-24 10:29:27 +01:00 |
|
|
|
2fa1010fd9
|
fix bug linGF
|
2022-01-17 15:15:27 +01:00 |
|
|
|
0196fc3a4e
|
fix bug in UHF
|
2022-01-17 15:12:45 +01:00 |
|
Pierre-Francois Loos
|
16431bcd33
|
ufG0W0
|
2022-01-17 08:02:11 +01:00 |
|
|
|
23c7dfdf08
|
B part of dBSE@GT
|
2022-01-12 09:18:35 +01:00 |
|
|
|
96e4f15aeb
|
B part of dBSE@GT
|
2022-01-12 09:17:39 +01:00 |
|
|
|
fc0f9bb5f0
|
dynamic BSE@GT
|
2022-01-11 15:23:43 +01:00 |
|
|
|
978e8b6a2c
|
OK with BSE@GT
|
2022-01-09 23:13:17 +01:00 |
|
|
|
695b407335
|
OK with BSE@GT
|
2022-01-09 23:12:21 +01:00 |
|
|
|
d790d95c4d
|
fix bugs in print in UKS
|
2022-01-08 13:59:45 +01:00 |
|
|
|
41d160d1d6
|
fix sign in GM@GT
|
2022-01-07 15:14:00 +01:00 |
|
|
|
909777c458
|
rename routine in HF
|
2022-01-07 09:56:30 +01:00 |
|
|
|
0cdf014817
|
fix bug GM@GT
|
2022-01-07 09:37:11 +01:00 |
|
|
|
16066f96d8
|
rename routines in eDFT
|
2022-01-07 09:13:38 +01:00 |
|
|
|
d51f99671d
|
problem with rcond in DIIS fixed
|
2022-01-06 22:36:30 +01:00 |
|
|
|
c93ae70805
|
fix bug in regularized self energy
|
2022-01-06 22:13:45 +01:00 |
|
|
|
baff46e4db
|
regularized self-energy in UGW
|
2022-01-06 22:10:53 +01:00 |
|
|
|
c21864c34c
|
regularized self-energy in qsGW and evGW
|
2022-01-06 22:02:10 +01:00 |
|
|
|
3d4ef5bece
|
fix bug in GF
|
2022-01-06 21:41:12 +01:00 |
|
|
|
e1f67c94d4
|
GM in GT
|
2022-01-06 13:48:15 +01:00 |
|
Clotilde Marut
|
7fb569aa49
|
Merge branch 'master' of github.com:pfloos/quack
|
2022-01-06 11:35:57 +01:00 |
|
|
|
cfb0d4c92c
|
print LZ
|
2022-01-06 11:35:52 +01:00 |
|
Clotilde Marut
|
3c39e0aa3a
|
fix conflicts
|
2022-01-06 11:20:49 +01:00 |
|
|
|
94a4a2937c
|
fix probleme HOMO/LUMO
|
2022-01-06 11:18:34 +01:00 |
|
Clotilde Marut
|
2c86a41d0d
|
safety commit
|
2022-01-06 11:18:07 +01:00 |
|
|
|
310f4ab132
|
problem print HOMO/LUMO
|
2022-01-06 10:23:48 +01:00 |
|
|
|
3ecf94bbc9
|
debugging BSE@GT
|
2022-01-05 12:46:59 +01:00 |
|
|
|
f6270a0ba5
|
CID and CISD
|
2022-01-04 11:39:33 +01:00 |
|
|
|
3cf1159cf0
|
unrestricted boolean in QuAcK
|
2022-01-02 17:14:10 +01:00 |
|
|
|
c7d353de18
|
rename files in GT
|
2022-01-02 10:25:19 +01:00 |
|
|
|
97c274a4f1
|
rename files in GT
|
2022-01-02 10:24:30 +01:00 |
|
|
|
d6ee3863da
|
ppURPA
|
2021-12-31 12:49:13 +01:00 |
|
|
|
2a5d6892b8
|
BSE@GT potentially correct
|
2021-12-21 13:49:41 +01:00 |
|
|
|
de2c45ab70
|
fix bug
|
2021-12-17 15:42:16 +01:00 |
|
|
|
cdf7148606
|
renormalized GT
|
2021-12-17 13:51:12 +01:00 |
|
|
|
02f7a03385
|
regularized GF2
|
2021-12-17 13:36:26 +01:00 |
|
|
|
203ce9541c
|
regularized GW
|
2021-12-17 11:41:40 +01:00 |
|
Clotilde Marut
|
187c8a791c
|
Merge branch 'master' of github.com:pfloos/quack
|
2021-12-16 21:43:35 +01:00 |
|
