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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
Commit Graph

33 Commits

Author SHA1 Message Date
ac0b9336df clean up LR in GW mess 2023-07-19 11:03:55 +02:00
a2c38aa03b remove COHSEX and modify phLR in GW routines 2023-07-18 14:59:18 +02:00
69faf94a4f renaming again 2023-07-12 22:56:20 +02:00
76bc19504d rename LR matrices 2023-07-12 22:37:04 +02:00
6d4199f989 add optimization in GF 2023-07-10 13:53:39 +02:00
b851d09c48 GF2 BSE2 rename 2023-07-04 12:07:38 +02:00
d704b367bc rename more files 2023-07-04 11:56:00 +02:00
5aff287039 remove eDFT 2023-07-03 14:41:46 +02:00
Antoine Marie
4334ce3ee6 missing files 2023-06-30 19:17:35 +02:00
Antoine Marie
545b5fb5e2 trying to fix diverging version 2023-06-30 16:47:26 +02:00
ab6a8c7357 fix reg in MP2 2023-01-12 10:20:12 +01:00
196e4c917a introduce SRG regularizer in GF, GW, and GT and add option for reg MP2 2022-11-30 17:18:51 +01:00
2a46cc4617 remove old methods and options 2022-11-29 09:54:18 +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
d51f99671d problem with rcond in DIIS fixed 2022-01-06 22:36:30 +01:00
3d4ef5bece fix bug in GF 2022-01-06 21:41:12 +01:00
02f7a03385 regularized GF2 2021-12-17 13:36:26 +01:00
203ce9541c regularized GW 2021-12-17 11:41:40 +01:00
b24950b706 bug in UG0F2 2021-10-08 15:18:21 +02:00
19c8e44739 fix bug in UG0F2 and evUGF2 2021-10-04 16:41:09 +02:00
3349b92e55 add G0T0 2021-07-06 11:57:13 +02:00
9eca749bce qsGW 2021-06-25 10:19:42 +02:00
80c77efe47 qsGF print 2021-03-27 15:06:51 +01:00
114ac2d1d1 debug qsGW and qsGF 2021-03-27 15:03:54 +01:00
210314bcd0 fix bug in print qsUGF2 2021-03-25 16:01:06 +01:00
d01e7c248c debug qsGF2/qsUGF2 2021-03-23 19:50:46 +01:00
dd568d8806 evUGF2 2021-03-08 20:09:54 +01:00
72470287f7 UG0F2 2021-03-08 17:00:05 +01:00
2d826d0f1e working on qsUGF2 2021-03-07 23:04:47 +01:00
29ed74cba0 qsUGF2 2021-03-07 22:44:37 +01:00
533e88e8fa qsUGF2 2021-03-07 22:19:42 +01:00
3ced7a8846 GF move 2021-03-07 17:17:18 +01:00