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mirror of https://github.com/pfloos/quack synced 2024-11-19 04:22:39 +01:00
Commit Graph

190 Commits

Author SHA1 Message Date
d4c50fa39e print_UG0T0.f90 2022-02-08 13:45:13 +01:00
15a04fd253 merge with Clotilde 2022-02-07 10:48:46 +01:00
036c8bda26 merge with Clotilde 2022-02-07 10:48:22 +01:00
2325131fb0 UG0T0 2022-02-07 10:46:43 +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
f7718c8ab1 clean linear response and static BSE2 kernel 2022-01-31 13:19:42 +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
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
41d160d1d6 fix sign in GM@GT 2022-01-07 15:14:00 +01:00
16066f96d8 rename routines in eDFT 2022-01-07 09:13:38 +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
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
203ce9541c regularized GW 2021-12-17 11:41:40 +01:00
d24b729fc3 regularized GW 2021-12-16 15:19:44 +01:00
55187b39c4 ppURPA updates 2021-12-16 12:28:28 +01:00
5d5824ce14 ppURPA 2021-12-15 11:41:06 +01:00
1dfee1e9fa set Fermi energy to zero in pp 2021-12-13 11:40:16 +01:00
aadf942f83 curvature corrected functional revisited 2021-11-24 10:25:48 +01:00
c379b80eac ACFDT for ppRPA 2021-11-18 13:34:08 +01:00
6f886a61a6 crossed ring ACFDT 2021-11-10 22:53:50 +01:00
23d7d83091 working on ACFDT for T-matrix 2021-11-10 22:41:40 +01:00
cec0fe9205 working on RPA third channel 2021-11-10 09:42:30 +01:00
388db3ca6e HF individual energy working 2021-11-08 09:55:39 +01:00
ac5955ab27 fix print in CCSD 2021-11-06 14:36:54 +01:00
95ae0073ee properly included SOSEX (still probably bugged) 2021-10-26 18:45:49 +02:00
494204113b new version of SOSEX (need serious debugging) 2021-10-22 21:10:31 +02:00
c4ac7f69e6 safer but slower orthogonalization in pp-RPA 2021-10-21 22:40:20 +02:00
7fd40afee5 ufBSE 2021-10-19 18:07:44 +02:00
87d4c8ac9a fixing bug in BSE@GT 2021-10-19 14:09:33 +02:00
871e657d08 AC@BSE@GT 2021-10-18 23:12:43 +02:00
6f11f0909f clean up pp-RPA 2021-10-18 21:41:03 +02:00
75b35bf3dd adding Z in ufGW 2021-10-18 15:05:01 +02:00
90a3570323 evGT 2021-10-17 23:04:22 +02:00
af73b5bfdb saving debug 2021-10-17 08:47:51 +02:00
0fa90ab2a9 OK for BSE@GT 2021-10-16 15:34:34 +02:00
e66405fa6d making Hubbard works 2021-10-15 19:30:00 +02:00
ba0e0c1731 ispinloop 2021-10-12 14:40:40 +02:00
b24950b706 bug in UG0F2 2021-10-08 15:18:21 +02:00
19c8e44739 fix bug in UG0F2 and evUGF2 2021-10-04 16:41:09 +02:00