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

27 Commits

Author SHA1 Message Date
c2d92e2299 UGW_SRG 2024-09-11 17:21:43 +02:00
04c70f18d8 minimal changes in many files 2023-12-03 18:47:30 +01:00
337a950172 cleanup again in print 2023-11-27 23:25:10 +01:00
Pierre-Francois Loos
0d32c305bf timing in ufGW 2023-11-27 10:17:14 +01:00
Pierre-Francois Loos
ff8557b684 modify print in test 2023-11-14 14:31:27 +01:00
976d2b0c54 saving work: test in GW 2023-11-13 17:39:30 +01:00
Pierre-Francois Loos
717138f363 starting cleaning up the unrestricted branch 2023-11-10 14:37:49 +01:00
193b99a856 more cleanup prints 2023-11-09 17:22:01 +01:00
4d8b25dfea add QP search in UG0W0 and evUGW 2023-10-25 13:19:21 +02:00
5d0441e850 fix bug in qsUGW and evUGW 2023-10-25 00:05:17 +02:00
01d8e28ca2 fixing GW regularization 2023-08-01 16:30:41 +02:00
2d61eaa29f clean up UGW 2023-07-30 22:01:44 +02:00
49fedf3307 more cleanup 2023-07-28 15:00:17 +02:00
eee5f6bac8 rename UGW routines 2023-07-27 21:59:18 +02:00
bd6fdf87f1 remove ERI_AO in GW GT 2023-07-23 23:10:57 +02:00
ed08450661 RPA module 2023-07-23 11:16:42 +02:00
b5ccfb734a remove Vxc and SigX and rename routines in UGT 2023-07-22 21:40:19 +02:00
1ea1d49a4e rename UGF routines 2023-07-22 21:02:59 +02:00
3a18f3e28a rename UAC routines 2023-07-22 19:41:45 +02:00
b010c872fc remove COHSEX completely 2023-07-21 22:54:53 +02:00
c476b258ff rename ULR routines 2023-07-21 13:04:29 +02:00
46ab457dc2 remove evDyn and cleanup dBSE@GW 2023-07-21 10:21:54 +02:00
600eb557b2 remove plot_GW 2023-07-20 21:50:41 +02:00
61b9b9472c getting rid of G0W and GW0 2022-11-30 16:41:19 +01:00
d51f99671d problem with rcond in DIIS fixed 2022-01-06 22:36:30 +01:00
c21864c34c regularized self-energy in qsGW and evGW 2022-01-06 22:02:10 +01:00
203ce9541c regularized GW 2021-12-17 11:41:40 +01:00