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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
Commit Graph

785 Commits

Author SHA1 Message Date
Clotilde Marut
210e4b5e7c Merge branch 'master' of https://github.com/pfloos/QuAcK 2021-11-22 22:55:10 +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
Clotilde Marut
f8b7cc125d Merge branch 'master' of https://github.com/pfloos/QuAcK 2021-11-10 09:48:53 +01:00
Clotilde Marut
d2182e22d7 commit for clotilde weight-dependent functionals 2021-11-10 09:48:33 +01:00
cec0fe9205 working on RPA third channel 2021-11-10 09:42:30 +01:00
e13c9866fb fix bug in T matrix 2021-11-08 16:45:29 +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
52c224416f fix problem with threshold 2021-11-02 11:07:34 +01:00
f95e0d4dfc forgot initialization 2021-11-02 10:57:41 +01:00
dc2f8b054c fix bug in individual energies for VWN 2021-11-01 21:51:02 +01:00
95ae0073ee properly included SOSEX (still probably bugged) 2021-10-26 18:45:49 +02:00
954a33d07f fix bug 2021-10-26 11:42:50 +02:00
20281b2c8d 4-state eDFT 2021-10-25 12:20:25 +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
52a7e632c4 fix form of the dynamical T-matrix 2021-10-20 23:19:27 +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
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
27181b85e4 adding ufGW to methods 2021-10-18 21:11:01 +02:00
75b35bf3dd adding Z in ufGW 2021-10-18 15:05:01 +02:00
58044a8a89 OK for ufGW 2021-10-18 14:14:46 +02:00
d038594640 ufGW 2021-10-18 10:10:54 +02:00
90a3570323 evGT 2021-10-17 23:04:22 +02:00
cb67629aed dBSE@GT 2021-10-17 12:49:40 +02:00
0ec1dc47de dBSE@GT 2021-10-17 12:46:47 +02:00
35d31cf705 dBSE@GT 2021-10-17 10:06:57 +02:00
af73b5bfdb saving debug 2021-10-17 08:47:51 +02:00
4fd4d88514 now debugging dBSE@GT 2021-10-17 08:15:26 +02:00
457c69bcce dynamical correction for BSE@GT 2021-10-17 08:11:17 +02:00
beaba5f152 more cleaning for GT 2021-10-16 19:43:40 +02:00
41f48188d5 clean up code for GT 2021-10-16 18:51:53 +02:00
7c863d4982 OK for BSE@evGT 2021-10-16 15:36:24 +02:00
0fa90ab2a9 OK for BSE@GT 2021-10-16 15:34:34 +02:00
ec4ff2cc9f debugging BSE@GT 2021-10-15 22:32:22 +02:00
afdf87dc58 OK for Hubbard 2021-10-15 21:01:56 +02:00
e66405fa6d making Hubbard works 2021-10-15 19:30:00 +02:00
eda79e42ec code done in BSE@GT 2021-10-15 16:56:16 +02:00
feb1a1bb40 working on BSE@GT 2021-10-15 13:51:04 +02:00
e6ae8b0001 adding Ncentered for correlation 2021-10-14 10:38:53 +02:00
09c43513e5 Merge branch 'master' of github.com:pfloos/quack 2021-10-13 18:06:26 +02:00
ab2e798726 debug from clotilde for N-centered 2021-10-13 18:06:16 +02:00
0aa6a58e35 README 2021-10-13 14:14:15 +02:00
abccd99f51 Merge branch 'master' of github.com:pfloos/QuAcK 2021-10-13 09:52:43 +02:00