Commit Graph

525 Commits

Author SHA1 Message Date
Pierre-Francois Loos ac5955ab27 fix print in CCSD 2021-11-06 14:36:54 +01:00
Pierre-Francois Loos 52c224416f fix problem with threshold 2021-11-02 11:07:34 +01:00
Pierre-Francois Loos f95e0d4dfc forgot initialization 2021-11-02 10:57:41 +01:00
Pierre-Francois Loos dc2f8b054c fix bug in individual energies for VWN 2021-11-01 21:51:02 +01:00
Pierre-Francois Loos 95ae0073ee properly included SOSEX (still probably bugged) 2021-10-26 18:45:49 +02:00
Pierre-Francois Loos 954a33d07f fix bug 2021-10-26 11:42:50 +02:00
Pierre-Francois Loos 20281b2c8d 4-state eDFT 2021-10-25 12:20:25 +02:00
Pierre-Francois Loos 494204113b new version of SOSEX (need serious debugging) 2021-10-22 21:10:31 +02:00
Pierre-Francois Loos c4ac7f69e6 safer but slower orthogonalization in pp-RPA 2021-10-21 22:40:20 +02:00
Pierre-Francois Loos 52a7e632c4 fix form of the dynamical T-matrix 2021-10-20 23:19:27 +02:00
Pierre-Francois Loos 7fd40afee5 ufBSE 2021-10-19 18:07:44 +02:00
Pierre-Francois Loos 87d4c8ac9a fixing bug in BSE@GT 2021-10-19 14:09:33 +02:00
Pierre-Francois Loos 871e657d08 AC@BSE@GT 2021-10-18 23:12:43 +02:00
Pierre-Francois Loos 22aeccb222 TDA in pp-RPA and GT 2021-10-18 22:05:26 +02:00
Pierre-Francois Loos 6f11f0909f clean up pp-RPA 2021-10-18 21:41:03 +02:00
Pierre-Francois Loos 27181b85e4 adding ufGW to methods 2021-10-18 21:11:01 +02:00
Pierre-Francois Loos 75b35bf3dd adding Z in ufGW 2021-10-18 15:05:01 +02:00
Pierre-Francois Loos 58044a8a89 OK for ufGW 2021-10-18 14:14:46 +02:00
Pierre-Francois Loos d038594640 ufGW 2021-10-18 10:10:54 +02:00
Pierre-Francois Loos 90a3570323 evGT 2021-10-17 23:04:22 +02:00
Pierre-Francois Loos cb67629aed dBSE@GT 2021-10-17 12:49:40 +02:00
Pierre-Francois Loos 0ec1dc47de dBSE@GT 2021-10-17 12:46:47 +02:00
Pierre-Francois Loos 35d31cf705 dBSE@GT 2021-10-17 10:06:57 +02:00
Pierre-Francois Loos af73b5bfdb saving debug 2021-10-17 08:47:51 +02:00
Pierre-Francois Loos 4fd4d88514 now debugging dBSE@GT 2021-10-17 08:15:26 +02:00
Pierre-Francois Loos 457c69bcce dynamical correction for BSE@GT 2021-10-17 08:11:17 +02:00
Pierre-Francois Loos beaba5f152 more cleaning for GT 2021-10-16 19:43:40 +02:00
Pierre-Francois Loos 41f48188d5 clean up code for GT 2021-10-16 18:51:53 +02:00
Pierre-Francois Loos 7c863d4982 OK for BSE@evGT 2021-10-16 15:36:24 +02:00
Pierre-Francois Loos 0fa90ab2a9 OK for BSE@GT 2021-10-16 15:34:34 +02:00
Pierre-Francois Loos ec4ff2cc9f debugging BSE@GT 2021-10-15 22:32:22 +02:00
Pierre-Francois Loos afdf87dc58 OK for Hubbard 2021-10-15 21:01:56 +02:00
Pierre-Francois Loos e66405fa6d making Hubbard works 2021-10-15 19:30:00 +02:00
Pierre-Francois Loos eda79e42ec code done in BSE@GT 2021-10-15 16:56:16 +02:00
Pierre-Francois Loos feb1a1bb40 working on BSE@GT 2021-10-15 13:51:04 +02:00
Pierre-Francois Loos e6ae8b0001 adding Ncentered for correlation 2021-10-14 10:38:53 +02:00
Pierre-Francois Loos 09c43513e5 Merge branch 'master' of github.com:pfloos/quack 2021-10-13 18:06:26 +02:00
Pierre-Francois Loos ab2e798726 debug from clotilde for N-centered 2021-10-13 18:06:16 +02:00
Anthony Scemama 0aa6a58e35 README 2021-10-13 14:14:15 +02:00
Anthony Scemama abccd99f51 Merge branch 'master' of github.com:pfloos/QuAcK 2021-10-13 09:52:43 +02:00
Anthony Scemama 1b0f8b280e Typo 2021-10-13 09:50:18 +02:00
Pierre-Francois Loos ba0e0c1731 ispinloop 2021-10-12 14:40:40 +02:00
Pierre-Francois Loos b24950b706 bug in UG0F2 2021-10-08 15:18:21 +02:00
Pierre-Francois Loos 19c8e44739 fix bug in UG0F2 and evUGF2 2021-10-04 16:41:09 +02:00
Pierre-Francois Loos 35f1ba916b fix bug in evGT 2021-09-27 15:57:26 +02:00
Pierre-Francois Loos ab45790280 correcting printing error in G0W0 2021-09-09 15:10:19 +02:00
Pierre-Francois Loos 3349b92e55 add G0T0 2021-07-06 11:57:13 +02:00
Pierre-Francois Loos 9eca749bce qsGW 2021-06-25 10:19:42 +02:00
Pierre-Francois Loos e77365c593 MOM 2021-05-19 15:15:31 +02:00
Pierre-Francois Loos 378bfd9356 RMOM 2021-05-19 15:11:44 +02:00