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mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
Commit Graph

96 Commits

Author SHA1 Message Date
13ed518704 correct a few bugs in ppBSE 2022-08-17 16:53:59 +02:00
3acc640eee excitation vectors for ppRPA and ppBSE 2022-08-17 15:52:13 +02:00
86f501cb78 ppURPA 2022-02-15 13:51:18 +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
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
3ecf94bbc9 debugging BSE@GT 2022-01-05 12:46:59 +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
55187b39c4 ppURPA updates 2021-12-16 12:28:28 +01:00
5d5824ce14 ppURPA 2021-12-15 11:41:06 +01:00
3d3806da64 ppURPA 2021-12-13 14:28:05 +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
3dfc2c3526 crossed ring CC and RPA working 2021-11-10 14:47:26 +01:00
cec0fe9205 working on RPA third channel 2021-11-10 09:42:30 +01:00
c4ac7f69e6 safer but slower orthogonalization in pp-RPA 2021-10-21 22:40:20 +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
22aeccb222 TDA in pp-RPA and GT 2021-10-18 22:05:26 +02:00
6f11f0909f clean up pp-RPA 2021-10-18 21:41:03 +02:00
35f1ba916b fix bug in evGT 2021-09-27 15:57:26 +02:00
4cd96d2aa4 OK for RPA/RPAx/GW 2021-04-02 09:53:23 +02:00
78b0f7abb9 fix bug in URPAx 2021-04-01 22:54:23 +02:00
6d590f237f fix bug in URPA 2021-04-01 22:04:23 +02:00
013fff95b6 fix bug RPAx 2021-03-04 15:09:56 +01:00
7af5a35157 bug in makefile debug 2020-10-14 16:02:09 +02:00
96254cd22d remove examples dir 2020-10-14 15:07:35 +02:00
a5bd9c218b ninja 2020-10-13 13:44:24 +02:00
1abe13c86d Done with UACFDT 2020-10-07 22:51:30 +02:00
efbe27068e unrestricted ACFDT 2020-10-07 18:26:24 +02:00
73e6c58852 S^2 spin flip almost OK 2020-10-05 23:00:56 +02:00
3d2ca7529f spin flip for CIS and TDHF almost done 2020-10-05 16:58:19 +02:00
8879a6c14e RPA -> LR 2020-10-04 13:58:55 +02:00
5a3c224513 dipole RHF OK 2020-10-04 09:36:03 +02:00
ac6b92d169 S^2 for ground state OK 2020-10-03 22:16:38 +02:00
c15ea00351 CIS(D) sligntly faster 2020-10-02 13:42:21 +02:00
69a0b5193d slow CIS(D) correction (in spinorbital basis) 2020-10-01 23:05:23 +02:00
ac66ae8ea2 corrected bug in spin flip 2020-09-30 15:02:48 +02:00
680f4cb0e2 debugging sf 2020-09-30 09:59:18 +02:00
2a498658b3 major modification for makefiles 2020-09-30 00:10:57 +02:00