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mirror of https://github.com/pfloos/quack synced 2024-06-22 21:22:20 +02:00
Commit Graph

1061 Commits

Author SHA1 Message Date
Pierre-Francois Loos
a2a63862c1 saving cRHF 2024-04-22 15:59:02 +02:00
Pierre-Francois Loos
7e633ed6da CAP integrals 2024-04-22 15:35:15 +02:00
6a00d176df start cRHF 2024-04-21 22:29:18 +02:00
cea30b737c start cRHF 2024-04-21 22:29:07 +02:00
1e06c7eb45 ok with GW+C 2024-02-21 21:57:48 +01:00
c055cd8521 fix bug in GW+C 2024-02-21 20:55:10 +01:00
Pierre-Francois Loos
4f07be96f7 RGWC 2024-02-21 17:49:43 +01:00
Pierre-Francois Loos
6cff335591 debugging GW+C 2024-02-21 16:32:13 +01:00
6027b12ce2 GW+C 2024-02-19 14:08:50 +01:00
940544b16f save GWC 2024-02-08 23:04:27 +01:00
a40b49fe9e samll modifs in GW+C 2024-02-08 19:21:29 +01:00
Pierre-Francois Loos
0e974dcfdb clean up RGWC 2024-02-08 16:42:44 +01:00
Pierre-Francois Loos
959cc22535 fix GW+C 2024-02-02 17:23:26 +01:00
5b704e91ea small changes in cumulant 2024-01-31 23:15:13 +01:00
990cf8462b cleaning up GW+C 2024-01-30 12:06:21 +01:00
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