Commit Graph

208 Commits

Author SHA1 Message Date
9d15de83e0 rename output 2021-01-22 16:55:53 +01:00
9fa1f72f7f new figures 2021-01-22 15:38:24 +01:00
38a6a77225 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-22 14:47:12 +01:00
334aced980 small typos 2021-01-22 14:47:03 +01:00
593b35ca3e H2 Notebook 2021-01-21 18:34:43 +01:00
ea0478944a H2 outputs 2021-01-21 18:12:22 +01:00
d0faf9f87a CBD outputs and inputs 2021-01-21 18:00:27 +01:00
d22dee6a00 small modifications in tables 2021-01-21 16:42:38 +01:00
7486e30a43 Tables 2021-01-21 16:28:52 +01:00
4db2c2c5a1 Table 2021-01-21 13:46:37 +01:00
74b9388d0c minor modifs in captions 2021-01-21 13:02:33 +01:00
acd7e9bc7b rename figs 2021-01-21 12:53:58 +01:00
42ec4ee415 rename figs 2021-01-21 12:53:16 +01:00
2549a759df TOC 2021-01-21 12:06:17 +01:00
2c14770632 minor changes in abstract and intro 2021-01-20 22:25:22 +01:00
59ad3ae420 minor corrections in results 2021-01-20 21:36:41 +01:00
4d0fde1be0 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-20 18:04:38 +01:00
ceb50cbf93 new figures 2021-01-20 18:04:30 +01:00
b418d7c530 new figures 2021-01-20 18:04:07 +01:00
226a37acb8 H2 BHHLYP results 2021-01-20 17:13:20 +01:00
223a1a011b H2 B3LYP results 2021-01-20 16:19:16 +01:00
6ad02c866f Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-20 15:55:13 +01:00
f1d05e6ac3 H2 BLYP results 2021-01-20 15:54:32 +01:00
1d6a475ff2 swap states D4h 2021-01-20 15:35:28 +01:00
c1f56bede3 H2 TD-BLYP results 2021-01-20 14:53:30 +01:00
b90e1326d8 graphs SI 2021-01-20 13:55:58 +01:00
bc157d649b H2 SF-BLYP results 2021-01-20 12:08:02 +01:00
05095381c5 H2 sf-td-b3lyp results 2021-01-20 08:44:17 +01:00
ecb8acd30d H2 b3lyp results 2021-01-20 08:12:46 +01:00
42b51637e9 modif Pina 2021-01-19 22:05:31 +01:00
a37955653c cover letter done 2021-01-19 19:31:27 +01:00
6236d191d7 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 18:33:28 +01:00
f221fcc2e3 cover letter 2021-01-19 18:33:20 +01:00
0991e92ea3 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 17:10:48 +01:00
10d7e68234 one more ref 2021-01-19 17:10:41 +01:00
9f6c5a9917 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 16:59:40 +01:00
5958a3904d H2 EOM-CCSD output 2021-01-19 16:58:52 +01:00
de86ab0cd6 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 16:52:52 +01:00
5c572d247a acs style 2021-01-19 16:52:43 +01:00
e534bb8b0e H2 TDDFT Gaussian results 2021-01-19 16:33:50 +01:00
3aa0ccdfbd SF-BSE_S2 fig 2021-01-19 16:23:48 +01:00
f25ec7747c SI 2021-01-19 16:22:58 +01:00
3c1cc67254 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 15:21:44 +01:00
08bcfe005d typo 2021-01-19 15:21:30 +01:00
a9c5953927 remove tddft qchem results 2021-01-19 14:37:10 +01:00
5f2b87cd35 H2 CIS results 2021-01-19 14:32:36 +01:00
5ffb54703c H2 CIS output 2021-01-19 14:22:38 +01:00
9ab1eb9ab0 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 14:11:38 +01:00
b90703cad1 H2 output 2021-01-19 14:09:55 +01:00
bcbc2d53f4 paragraph for S2 in H2 2021-01-19 14:03:31 +01:00