|
|
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
|
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 |
|
|
|
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 |
|
|
|
66fa14687d
|
moving screening calculation in ufG routines
|
2023-11-30 09:21:21 +01:00 |
|
|
|
d8950051e8
|
working on ufG0T0pp
|
2023-11-29 17:16:33 +01:00 |
|
|
|
19fd073ab9
|
fix bug in sort_ppRPA
|
2023-11-29 16:20:53 +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 |
|
Pierre-Francois Loos
|
8a7e9ae90d
|
timing in ufG0W0
|
2023-11-27 09:56:32 +01:00 |
|
|
|
1f8a2d2b13
|
fix non-TDA print in ufGW
|
2023-11-25 12:36:38 +01:00 |
|
|
|
5d74b8073a
|
cleaning up ufGW
|
2023-11-24 15:31:29 +01:00 |
|
|
|
a37cfb496e
|
clean up AOtoMO transform
|
2023-11-22 17:02:46 +01:00 |
|
|
|
fc0d471481
|
cleaning up AOtoMO transformation for RHF and UHF
|
2023-11-22 16:20:14 +01:00 |
|
|
|
ebd00ae525
|
clean up print excitation energy
|
2023-11-22 10:07:23 +01:00 |
|
|
|
f30c5a9cb1
|
there is a bug in UG0W0
|
2023-11-20 21:34:08 +01:00 |
|
|
|
9388a0d290
|
adding S2 in qsGGW and qsUGW
|
2023-11-20 12:03:36 +01:00 |
|
|
|
5ccb8ebdc5
|
trying to fix collinearity test
|
2023-11-15 00:52:12 +01:00 |
|
|
|
d22ee6a560
|
remove silly warning in print
|
2023-11-14 22:00:23 +01:00 |
|
Pierre-Francois Loos
|
ff8557b684
|
modify print in test
|
2023-11-14 14:31:27 +01:00 |
|
Pierre-Francois Loos
|
0bb137ed57
|
crGRPA
|
2023-11-14 13:50:53 +01:00 |
|
