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mirror of https://github.com/pfloos/quack synced 2024-08-25 13:41:46 +02:00
Commit Graph

660 Commits

Author SHA1 Message Date
608a62dd6a remove construction of matrices in ppRPA 2023-07-17 23:05:49 +02:00
91954dba8d remove so GT routines 2023-07-17 22:31:28 +02:00
8c0a682aed rename ACFDT routines 2023-07-17 15:17:25 +02:00
1f8dcf8db5 rename ACFDT routines 2023-07-17 15:17:02 +02:00
760e5ebb8d clean up ppACFDT 2023-07-17 14:50:16 +02:00
af6a2038d6 fix bug in MP module 2023-07-17 14:24:49 +02:00
95807231fe add MP module 2023-07-17 14:21:39 +02:00
a2ab1fa782 remove MP2F12 2023-07-17 14:09:29 +02:00
db1733088a renaming in HF and MP variables 2023-07-17 13:51:52 +02:00
f7623c3ed6 remove read/write guess 2023-07-17 13:39:35 +02:00
62b9722256 remove read/write guess 2023-07-17 13:39:13 +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
76bc19504d rename LR matrices 2023-07-12 22:37:04 +02:00
75415d2427 remove ADC 2023-07-12 22:12:28 +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
06df6109fa add optimization in GT 2023-07-10 11:53:42 +02:00
d93fbcb591 add optimization in BSE@GW 2023-07-10 11:36:45 +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
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
812721e5d9 rename GTpp routines 2023-07-04 10:32:47 +02:00
2fc348ebe4 qsGTeh 2023-07-04 09:27:35 +02:00
b701886e5c fix 2 bugs en GTeh 2023-07-04 08:29:16 +02:00
1110cd6319 evGTeh 2023-07-03 23:15:07 +02:00
4f3b3102d3 remove numgrid 2023-07-03 22:33:50 +02:00
5aff287039 remove eDFT 2023-07-03 14:41:46 +02:00
989e0b9bd8 remove qcaml for pyscf 2023-07-03 14:33:48 +02:00
af5d4f4226 fixing antoine 2023-07-02 16:21:14 +02:00
Antoine Marie
4334ce3ee6 missing files 2023-06-30 19:17:35 +02:00
Antoine Marie
86e9ee3dd6 change compiler to gfortran and read basis to be compatible with GoDuck.sh 2023-06-30 16:56:07 +02:00
Antoine Marie
545b5fb5e2 trying to fix diverging version 2023-06-30 16:47:26 +02:00
a8a8218798 ok with ehGT 2023-06-29 20:46:47 +02:00
3bab883de1 missing file 2023-06-29 18:56:01 +02:00
f5d6971e1f experimental files 2023-06-29 18:54:00 +02:00
Antoine Marie
552005f910 dgemm instead of matmul for nVV matrix multiplication in sort_ppRPA.f90 2023-06-14 16:53:16 +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
fe8768470d remove in QuAcK 2023-04-12 22:30:28 +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
535b6e2aa2 modif in utils 2023-03-14 14:12:43 +01:00