Commit Graph

1061 Commits

Author SHA1 Message Date
Pierre-Francois Loos d601d16dc5 ppBSE dynamic kernel C 2023-07-24 15:21:21 +02:00
Pierre-Francois Loos f0dda32d67 ppBSE kernel 2023-07-24 15:01:54 +02:00
Pierre-Francois Loos 991e975f86 ppBSE@GF2 static kernels 2023-07-24 13:57:56 +02:00
Pierre-Francois Loos 2aa079ceb0 ppBSE@GF2 B block 2023-07-24 13:38:18 +02:00
Pierre-Francois Loos 4bb6dd20c5 ppBSE@GF2 C and D blocks 2023-07-24 13:02:24 +02:00
Pierre-Francois Loos bd6fdf87f1 remove ERI_AO in GW GT 2023-07-23 23:10:57 +02:00
Pierre-Francois Loos 53ac297aa0 rename n_diis in max_diis in read_options 2023-07-23 22:05:38 +02:00
Pierre-Francois Loos 4de7d1882d fix bug in HF diis 2023-07-23 22:03:42 +02:00
Pierre-Francois Loos eb59072a2c cleanup 2023-07-23 18:03:15 +02:00
Pierre-Francois Loos f515261c88 GT and GW modules 2023-07-23 17:41:44 +02:00
Pierre-Francois Loos aa1d3c90bc module GF 2023-07-23 11:58:18 +02:00
Pierre-Francois Loos ed08450661 RPA module 2023-07-23 11:16:42 +02:00
Pierre-Francois Loos d91f343713 fix bug in CI module 2023-07-23 10:40:39 +02:00
Pierre-Francois Loos f5f34d9668 CI module 2023-07-23 10:29:24 +02:00
Pierre-Francois Loos 75f4839725 create CC module 2023-07-22 22:19:46 +02:00
Pierre-Francois Loos b5ccfb734a remove Vxc and SigX and rename routines in UGT 2023-07-22 21:40:19 +02:00
Pierre-Francois Loos 1ea1d49a4e rename UGF routines 2023-07-22 21:02:59 +02:00
Pierre-Francois Loos 3a18f3e28a rename UAC routines 2023-07-22 19:41:45 +02:00
Pierre-Francois Loos 09e04f3f53 bug in qsGW 2023-07-22 11:49:06 +02:00
Pierre-Francois Loos b010c872fc remove COHSEX completely 2023-07-21 22:54:53 +02:00
Pierre-Francois Loos 34fb993302 clean up GTeh 2023-07-21 20:38:49 +02:00
Pierre-Francois Loos c476b258ff rename ULR routines 2023-07-21 13:04:29 +02:00
Pierre-Francois Loos 5660146de5 clean up GW and GT 2023-07-21 12:30:29 +02:00
Pierre-Francois Loos 1d9725546d fix bug in ppBSE 2023-07-21 12:00:08 +02:00
Pierre-Francois Loos d11bebafe1 fix bug in non-TDA dBSE@GW 2023-07-21 11:28:12 +02:00
Pierre-Francois Loos 6cc9802d00 include B term in phBSE2@GW 2023-07-21 11:18:00 +02:00
Pierre-Francois Loos d7e059c330 remove useless routines in dBSE@GW 2023-07-21 10:47:36 +02:00
Pierre-Francois Loos d8678bfe4f fix bug in dBSE@GW 2023-07-21 10:45:10 +02:00
Pierre-Francois Loos 6c4d0c7544 Merge branch 'master' of github.com:pfloos/QuAcK 2023-07-21 10:22:00 +02:00
Pierre-Francois Loos 46ab457dc2 remove evDyn and cleanup dBSE@GW 2023-07-21 10:21:54 +02:00
Pierre-Francois Loos d310754ed1
Update README.md 2023-07-20 22:19:17 +02:00
Pierre-Francois Loos b53a1505be remove useless routines in utils 2023-07-20 22:17:47 +02:00
Pierre-Francois Loos e6d68ea534 remove static_screening 2023-07-20 22:09:12 +02:00
Pierre-Francois Loos 752edf29bf cleanup LR 2023-07-20 22:01:11 +02:00
Pierre-Francois Loos 6df119aaba move exchange 2023-07-20 21:54:31 +02:00
Pierre-Francois Loos 4e7cb25352 move exchange 2023-07-20 21:54:09 +02:00
Pierre-Francois Loos 5f0fad74d4 remove QP_roots 2023-07-20 21:51:58 +02:00
Pierre-Francois Loos 600eb557b2 remove plot_GW 2023-07-20 21:50:41 +02:00
Pierre-Francois Loos 3103f786d6 fix bug 2023-07-20 16:03:09 +02:00
Pierre-Francois Loos 7d0541778b rename kernel routines 2023-07-20 15:54:24 +02:00
Pierre-Francois Loos 63ab549f6b ppLR in GTpp and GW 2023-07-20 14:59:02 +02:00
Pierre-Francois Loos ad174054bb Merge branch 'master' of github.com:pfloos/QuAcK 2023-07-20 12:38:02 +02:00
Pierre-Francois Loos 11794c6625 ok with linear response 2023-07-20 12:37:54 +02:00
Pierre-Francois Loos 7cee56a848
Update README.md 2023-07-20 09:54:12 +02:00
Pierre-Francois Loos e7cc1fb8a5 logo 2023-07-20 09:53:25 +02:00
Pierre-Francois Loos ba40c9bdb8 remove XBSE 2023-07-19 11:40:22 +02:00
Pierre-Francois Loos ac0b9336df clean up LR in GW mess 2023-07-19 11:03:55 +02:00
Pierre-Francois Loos 0b72047ab3 phLR in GTeh 2023-07-18 22:17:42 +02:00
Pierre-Francois Loos e150460d22 missing files 2023-07-18 15:07:39 +02:00
Pierre-Francois Loos 7b06e8ea50 fix bug in dSigmaC 2023-07-18 15:07:07 +02:00