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mirror of https://github.com/pfloos/quack synced 2024-12-23 21:03:47 +01:00
Commit Graph

72 Commits

Author SHA1 Message Date
4e7cb25352 move exchange 2023-07-20 21:54:09 +02:00
5f0fad74d4 remove QP_roots 2023-07-20 21:51:58 +02:00
600eb557b2 remove plot_GW 2023-07-20 21:50:41 +02:00
3103f786d6 fix bug 2023-07-20 16:03:09 +02:00
7d0541778b rename kernel routines 2023-07-20 15:54:24 +02:00
63ab549f6b ppLR in GTpp and GW 2023-07-20 14:59:02 +02:00
11794c6625 ok with linear response 2023-07-20 12:37:54 +02:00
ba40c9bdb8 remove XBSE 2023-07-19 11:40:22 +02:00
ac0b9336df clean up LR in GW mess 2023-07-19 11:03:55 +02:00
0b72047ab3 phLR in GTeh 2023-07-18 22:17:42 +02:00
e150460d22 missing files 2023-07-18 15:07:39 +02:00
7b06e8ea50 fix bug in dSigmaC 2023-07-18 15:07:07 +02:00
a2c38aa03b remove COHSEX and modify phLR in GW routines 2023-07-18 14:59:18 +02:00
092a3f5e6d OK with LR in RPA routines 2023-07-18 11:53:38 +02:00
2c7653b7bc add HF module 2023-07-17 13:35:24 +02:00
ae540679cd more renaming 2023-07-12 23:16:37 +02:00
69faf94a4f renaming again 2023-07-12 22:56:20 +02:00
d6eb90df47 moving calculations of Z in Sig 2023-07-12 14:13:45 +02:00
d207fb5173 renaming LR routines and fix bug in Z GW 2023-07-12 13:34:10 +02:00
6e93f1f6bb add dynamic BSE2@GW 2023-07-10 14:50:16 +02:00
6d4199f989 add optimization in GF 2023-07-10 13:53:39 +02:00
d93fbcb591 add optimization in BSE@GW 2023-07-10 11:36:45 +02:00
d704b367bc rename more files 2023-07-04 11:56:00 +02:00
86ae96511b rename GW routines 2023-07-04 10:51:03 +02:00
f90a679f0c rename GW routines 2023-07-04 10:44:20 +02:00
490dd13c0d remove SOSEX 2023-07-04 10:37:54 +02:00
af5d4f4226 fixing antoine 2023-07-02 16:21:14 +02:00
Antoine Marie
545b5fb5e2 trying to fix diverging version 2023-06-30 16:47:26 +02:00
f5d6971e1f experimental files 2023-06-29 18:54:00 +02:00
Antoine Marie
3941db73e3 fix conflict, nuclear energy fixed in previous commit 2023-04-20 17:03:23 +02:00
Antoine Marie
c74579254d save file before pull 2023-04-20 17:00:34 +02:00
0746f2110a corrected 2023-04-12 22:30:06 +02:00
f998fb3a13 remove self-screening correction 2023-04-12 22:29:10 +02:00
6515773839 bug in ufGW and ufG0W0 2023-04-12 21:41:30 +02:00
Antoine Marie
78cefb5759 fix conflicts 2023-03-14 14:15:00 +01:00
Antoine Marie
7598446ed8 openMP for GW bis 2023-03-14 14:12:19 +01:00
Antoine Marie
3a80069009 openMP for GW 2023-03-14 14:11:54 +01:00
Antoine Marie
01b0a4d823 add SRG files 2023-03-14 14:11:01 +01:00
a1b4abf10a fix bug in BSE2@GW 2023-03-13 10:10:40 +01:00
8c1dcd96e1 change ordering of some loop to increase speed of qsGW 2022-12-08 15:06:18 +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
61b9b9472c getting rid of G0W and GW0 2022-11-30 16:41:19 +01:00
0b56f97398 update DIIS in HF and qsGW 2022-11-29 14:47:51 +01:00
76a3b9cfff SRG qsGW 2022-11-29 12:11:09 +01:00
2a46cc4617 remove old methods and options 2022-11-29 09:54:18 +01:00
99aa500483 missing files for BSE2@GW 2022-11-28 15:21:05 +01:00
d2082f55f8 implementation of BSE2@GW 2022-11-28 15:05:29 +01:00
5a561e0ed9 update eDFT module 2022-11-28 10:52:06 +01:00
68d95544ae clean up QuAcK 2022-11-08 15:38:46 +01:00
96621bd038 adding routines for MBPT vs CC 2022-09-28 16:09:09 +02:00