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mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
Commit Graph

1246 Commits

Author SHA1 Message Date
437c5d19c1 remove useless routine 2024-01-30 10:16:42 +01:00
5562c341f6 fix GW+C spectral function 2024-01-29 23:01:10 +01:00
6680cc84dd GW+C spectral function 2024-01-29 17:20:57 +01:00
c2fc694fdb GW spectal function 2024-01-29 15:23:34 +01:00
7f4268a185 GW_ImSigC.f90 2024-01-29 15:19:30 +01:00
a1286af824 additional geometries 2024-01-18 22:31:16 +01:00
ff14632ddc add GW+C in evGW 2024-01-18 17:38:05 +01:00
26afce35ca adding SRG-qsGW+C 2024-01-18 12:04:34 +01:00
87245a33e2 RGW+C 2024-01-18 11:53:20 +01:00
e277931d14 RGW+C 2024-01-18 11:53:02 +01:00
3d5f60139e GW+C 2024-01-17 18:40:21 +01:00
1230938316 fix HOMO LUMO print in GG0W0 2023-12-31 11:35:56 +01:00
e691860b7d SRG-qsUGW 2023-12-26 19:54:04 +01:00
39edb33dcb change print HOMO LUMO in UHF and G0W0 2023-12-26 12:37:56 +01:00
Antoine Marie
ec9426005a zeroth order in ufGT 2023-12-15 13:50:05 +01:00
Pierre-Francois Loos
d2462ce185 fix length line problem 2023-12-15 09:57:21 +01:00
Antoine Marie
c429748320 meeting 2023-12-15 09:53:29 +01:00
Antoine Marie
f8f857ed38 trying to fix merge conflict 2023-12-14 21:44:17 +01:00
Pierre-Francois Loos
1c7a98ba0e fix bug in PyDuck 2023-12-14 11:16:44 +01:00
Antoine Marie
04887bc569 minor modif 2023-12-14 10:15:07 +01:00
Antoine Marie
889ad27c20 fixing nuclear energy 2023-12-14 10:14:00 +01:00
Antoine Marie
21b1bbda5c fixing ufGF2 2023-12-14 10:10:09 +01:00
Antoine Marie
a259c81fa3 save worf unfoldGF2, still not working ... 2023-12-13 17:36:38 +01:00
6e8f1bb81c linking ufG0T0pp properly 2023-12-03 22:12:41 +01:00
857d36ee77 missing file 2023-12-03 21:40:28 +01:00
dac467ede9 Merge branch 'master' of github.com:pfloos/QuAcK 2023-12-03 21:07:41 +01:00
836e244d69 working toward ufG0F02 2023-12-03 21:07:30 +01:00
04c70f18d8 minimal changes in many files 2023-12-03 18:47:30 +01:00
9076855abe OK with ufG0T0pp 2023-11-30 21:21:05 +01:00
66fa14687d moving screening calculation in ufG routines 2023-11-30 09:21:21 +01:00
43d3198381 trying to spin adapt ufG0T0 2023-11-29 22:57:50 +01:00
55e23a004d OK with ufG0T0pp 2023-11-29 17:21:36 +01:00
d8950051e8 working on ufG0T0pp 2023-11-29 17:16:33 +01:00
83c1e8de49 fix bug in sort_ppRPA 2023-11-29 16:23:49 +01:00
19fd073ab9 fix bug in sort_ppRPA 2023-11-29 16:20:53 +01:00
8469a6b91c ufG0T0pp 2023-11-28 19:15:39 +01:00
Pierre-Francois Loos
370ddf6c16 modified print again 2023-11-28 14:44:26 +01:00
f89d54c59b correct big bug in HF search 2023-11-28 10:40:15 +01:00
337a950172 cleanup again in print 2023-11-27 23:25:10 +01:00
Pierre-Francois Loos
c46ab4558b big cleanup for print 2023-11-27 14:29:42 +01:00
Antoine Marie
576d1f4b1a print error in ufGW 2023-11-27 13:43:18 +01:00
3950
2347614045 Merge branch 'master' of github.com:pfloos/QuAcK 2023-11-27 13:38:01 +01:00
3950
96bc07076f error in allocate and error in print ufGW 2023-11-27 13:37:37 +01:00
Pierre-Francois Loos
cdb9220872 cleanup qsGW 2023-11-27 13:30:53 +01:00
3950
be477eb826 Merge branch 'master' of github.com:pfloos/QuAcK 2023-11-27 11:06:52 +01:00
Pierre-Francois Loos
39b8b8d6f1 ok with ufGW et al 2023-11-27 11:06:33 +01:00
3950
e6427bdc05 Merge branch 'master' of github.com:pfloos/QuAcK 2023-11-27 10:49:27 +01:00
Pierre-Francois Loos
f7373f571b bug in print ufGW 2023-11-27 10:49:13 +01:00
Pierre-Francois Loos
0d32c305bf timing in ufGW 2023-11-27 10:17:14 +01:00
3950
59789d873c commit RG0W0 2023-11-27 10:02:33 +01:00