QuAcK

PTEROSOR/QuAcK

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mirror of https://github.com/pfloos/quack synced 2024-11-03 20:53:53 +01:00

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6a00d176df start cRHF pfloos 2024-04-21 22:29:18 +0200
cea30b737c start cRHF pfloos 2024-04-21 22:29:07 +0200
1e06c7eb45 ok with GW+C pfloos 2024-02-21 21:57:48 +0100
c055cd8521 fix bug in GW+C pfloos 2024-02-21 20:55:10 +0100
4f07be96f7 RGWC Pierre-Francois Loos 2024-02-21 17:49:43 +0100
6cff335591 debugging GW+C Pierre-Francois Loos 2024-02-21 16:32:13 +0100
6027b12ce2 GW+C pfloos 2024-02-19 14:08:50 +0100
940544b16f save GWC pfloos 2024-02-08 23:04:27 +0100
a40b49fe9e samll modifs in GW+C pfloos 2024-02-08 19:21:29 +0100
0e974dcfdb clean up RGWC Pierre-Francois Loos 2024-02-08 16:42:44 +0100
959cc22535 fix GW+C Pierre-Francois Loos 2024-02-02 17:23:26 +0100
5b704e91ea small changes in cumulant pfloos 2024-01-31 23:15:13 +0100
990cf8462b cleaning up GW+C pfloos 2024-01-30 12:06:21 +0100
437c5d19c1 remove useless routine pfloos 2024-01-30 10:16:42 +0100
5562c341f6 fix GW+C spectral function pfloos 2024-01-29 23:01:10 +0100
6680cc84dd GW+C spectral function pfloos 2024-01-29 17:20:57 +0100
c2fc694fdb GW spectal function pfloos 2024-01-29 15:23:34 +0100
7f4268a185 GW_ImSigC.f90 pfloos 2024-01-29 15:19:30 +0100
a1286af824 additional geometries pfloos 2024-01-18 22:31:16 +0100
ff14632ddc add GW+C in evGW pfloos 2024-01-18 17:38:05 +0100
26afce35ca adding SRG-qsGW+C pfloos 2024-01-18 12:04:34 +0100
87245a33e2 RGW+C pfloos 2024-01-18 11:53:20 +0100
e277931d14 RGW+C pfloos 2024-01-18 11:53:02 +0100
3d5f60139e GW+C pfloos 2024-01-17 18:40:21 +0100
1230938316 fix HOMO LUMO print in GG0W0 pfloos 2023-12-31 11:35:56 +0100
e691860b7d SRG-qsUGW pfloos 2023-12-26 19:54:04 +0100
39edb33dcb change print HOMO LUMO in UHF and G0W0 pfloos 2023-12-26 12:37:56 +0100
ec9426005a zeroth order in ufGT Antoine Marie 2023-12-15 13:50:05 +0100
d2462ce185 fix length line problem Pierre-Francois Loos 2023-12-15 09:57:21 +0100
c429748320 meeting Antoine Marie 2023-12-15 09:53:29 +0100
f8f857ed38 trying to fix merge conflict Antoine Marie 2023-12-14 21:44:17 +0100
1c7a98ba0e fix bug in PyDuck Pierre-Francois Loos 2023-12-14 11:16:44 +0100
04887bc569 minor modif Antoine Marie 2023-12-14 10:15:07 +0100
889ad27c20 fixing nuclear energy Antoine Marie 2023-12-14 10:14:00 +0100
21b1bbda5c fixing ufGF2 Antoine Marie 2023-12-14 10:10:09 +0100
a259c81fa3 save worf unfoldGF2, still not working ... Antoine Marie 2023-12-13 17:36:38 +0100
6e8f1bb81c linking ufG0T0pp properly pfloos 2023-12-03 22:12:41 +0100
857d36ee77 missing file Antoine MARIE 2023-12-03 21:40:28 +0100
dac467ede9 Merge branch 'master' of github.com:pfloos/QuAcK Antoine MARIE 2023-12-03 21:07:41 +0100
836e244d69 working toward ufG0F02 Antoine MARIE 2023-12-03 21:07:30 +0100
04c70f18d8 minimal changes in many files pfloos 2023-12-03 18:47:30 +0100
9076855abe OK with ufG0T0pp pfloos 2023-11-30 21:21:05 +0100
66fa14687d moving screening calculation in ufG routines pfloos 2023-11-30 09:21:21 +0100
43d3198381 trying to spin adapt ufG0T0 pfloos 2023-11-29 22:57:50 +0100
55e23a004d OK with ufG0T0pp pfloos 2023-11-29 17:21:36 +0100
d8950051e8 working on ufG0T0pp pfloos 2023-11-29 17:16:33 +0100
83c1e8de49 fix bug in sort_ppRPA pfloos 2023-11-29 16:23:49 +0100
19fd073ab9 fix bug in sort_ppRPA pfloos 2023-11-29 16:20:53 +0100
8469a6b91c ufG0T0pp pfloos 2023-11-28 19:15:39 +0100
370ddf6c16 modified print again Pierre-Francois Loos 2023-11-28 14:44:26 +0100
f89d54c59b correct big bug in HF search pfloos 2023-11-28 10:40:15 +0100
337a950172 cleanup again in print pfloos 2023-11-27 23:25:10 +0100
c46ab4558b big cleanup for print Pierre-Francois Loos 2023-11-27 14:29:42 +0100
576d1f4b1a print error in ufGW Antoine Marie 2023-11-27 13:43:18 +0100
2347614045 Merge branch 'master' of github.com:pfloos/QuAcK 3950 2023-11-27 13:38:01 +0100
96bc07076f error in allocate and error in print ufGW 3950 2023-11-27 13:37:37 +0100
cdb9220872 cleanup qsGW Pierre-Francois Loos 2023-11-27 13:30:53 +0100
be477eb826 Merge branch 'master' of github.com:pfloos/QuAcK 3950 2023-11-27 11:06:52 +0100
39b8b8d6f1 ok with ufGW et al Pierre-Francois Loos 2023-11-27 11:06:33 +0100
e6427bdc05 Merge branch 'master' of github.com:pfloos/QuAcK 3950 2023-11-27 10:49:27 +0100
f7373f571b bug in print ufGW Pierre-Francois Loos 2023-11-27 10:49:13 +0100
0d32c305bf timing in ufGW Pierre-Francois Loos 2023-11-27 10:17:14 +0100
59789d873c commit RG0W0 3950 2023-11-27 10:02:33 +0100
8a7e9ae90d timing in ufG0W0 Pierre-Francois Loos 2023-11-27 09:56:32 +0100
1f8a2d2b13 fix non-TDA print in ufGW pfloos 2023-11-25 12:36:38 +0100
5d74b8073a cleaning up ufGW pfloos 2023-11-24 15:31:29 +0100
3f12eb8188 dgemm for GHF AOtoMO transformation pfloos 2023-11-24 10:51:31 +0100
a37cfb496e clean up AOtoMO transform pfloos 2023-11-22 17:02:46 +0100
fc0d471481 cleaning up AOtoMO transformation for RHF and UHF pfloos 2023-11-22 16:20:14 +0100
05d11b3f26 fix bug in AOtoMO transform for UHF pfloos 2023-11-22 14:54:05 +0100
ebd00ae525 clean up print excitation energy pfloos 2023-11-22 10:07:23 +0100
f30c5a9cb1 there is a bug in UG0W0 pfloos 2023-11-20 21:34:08 +0100
09a33729fe rename printing routines pfloos 2023-11-20 17:42:50 +0100
3c1553fd57 small modifs in HF pfloos 2023-11-20 14:57:45 +0100
9388a0d290 adding S2 in qsGGW and qsUGW pfloos 2023-11-20 12:03:36 +0100
dd164400fb cleaning up collinearity test pfloos 2023-11-18 22:40:07 +0100
395f1abf9a added <Si Sj> Abdallah Ammar 2023-11-17 14:00:39 +0100
1803f1d454 fixed bug in S^2 Abdallah Ammar 2023-11-17 11:58:55 +0100
1e21d8ff56 fixed bug in Spin-GHF Abdallah Ammar 2023-11-17 11:08:38 +0100
6d485d364d fixed confl Abdallah Ammar 2023-11-17 10:55:59 +0100
5e93c8bcc4 v1 of test col Abdallah Ammar 2023-11-17 10:54:53 +0100
df72721855 v0 of collinearity matrix Abdallah Ammar 2023-11-17 08:48:23 +0100
d5e7be1500 fix scf convergence issues in RHF, UHF, ROHF and GHF pfloos 2023-11-17 00:26:44 +0100
3e8b3ab6da more clean up in GHF print pfloos 2023-11-16 19:45:02 +0100
d42dd9471f Merge branch 'master' of github.com:pfloos/QuAcK pfloos 2023-11-16 19:38:50 +0100
0aabc1a5f4 clean up S^2 GHF pfloos 2023-11-16 19:38:32 +0100
784ccf9632

Update README.md Pierre-Francois Loos 2023-11-16 17:57:05 +0100
247e887a51

Update README.md Pierre-Francois Loos 2023-11-16 17:56:50 +0100
efd001b7cf

Merge pull request #6 from pfloos/abd AbdAmmar 2023-11-16 15:53:03 +0100
e81b78a532

Merge pull request #5 from pfloos/master AbdAmmar 2023-11-16 15:52:13 +0100
3f7c1f3982

Merge branch 'abd' into master AbdAmmar 2023-11-16 15:52:06 +0100
8a92a53e7c latest S2 version for abd Pierre-Francois Loos 2023-11-16 13:51:43 +0100
450672c825 saving work Pierre-Francois Loos 2023-11-16 13:32:31 +0100
d168ef88f4 fixed conf Abdallah Ammar 2023-11-16 13:24:24 +0100
8f6243e34e

Merge pull request #4 from pfloos/master AbdAmmar 2023-11-16 12:50:42 +0100
1c422cdb19

Merge branch 'abd' into master AbdAmmar 2023-11-16 12:50:34 +0100
4300a2481c v0 of S Abdallah Ammar 2023-11-16 12:38:00 +0100
bfeb09d783 saving work pfloos 2023-11-15 22:32:45 +0100
7a7f3888a2 S components for UHF pfloos 2023-11-15 21:58:32 +0100
bf1eeb0b8e still working on GHF pfloos 2023-11-15 18:00:04 +0100

Commit Graph Select branches Hide Pull Requests add-license-1 master old refact trexio work_env #1 #10 #2 #4 #5 #6 #7 #8 #9 0.9 Mono Color

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