4
1
mirror of https://github.com/pfloos/quack synced 2024-11-09 07:33:55 +01:00
Commit Graph

23 Commits

Author SHA1 Message Date
2325131fb0 UG0T0 2022-02-07 10:46:43 +01:00
21c1ceb975 fix ACFDT for Tmatrix 2022-02-03 10:05:58 +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
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
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
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
0cdf014817 fix bug GM@GT 2022-01-07 09:37:11 +01:00
d51f99671d problem with rcond in DIIS fixed 2022-01-06 22:36:30 +01:00
e1f67c94d4 GM in GT 2022-01-06 13:48:15 +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
97c274a4f1 rename files in GT 2022-01-02 10:24:30 +01:00
2a5d6892b8 BSE@GT potentially correct 2021-12-21 13:49:41 +01:00
cdf7148606 renormalized GT 2021-12-17 13:51:12 +01:00
203ce9541c regularized GW 2021-12-17 11:41:40 +01:00