Commit Graph

148 Commits

Author SHA1 Message Date
d6dad8419b done with H2 for now 2021-01-18 15:40:29 +01:00
1267eac57c new figures 2021-01-18 13:59:36 +01:00
375b013c8b fix conflict 2021-01-18 11:50:38 +01:00
6873d4a413 Table Be 2021-01-18 11:46:03 +01:00
241030dd19 done for now with Be results 2021-01-18 11:45:10 +01:00
9b176ba9ef done for now with Be results 2021-01-18 11:35:53 +01:00
4aef613a8e last SF-CIS numbers 2021-01-18 10:05:45 +01:00
756775fa2a test 2021-01-18 09:38:41 +01:00
79ebaaf3aa BSE output H2 2021-01-18 09:35:59 +01:00
4db0bb356b grid 2021-01-17 23:27:46 +01:00
bcd765e332 saving work in results 2021-01-17 22:45:54 +01:00
2632bf1fae new figures from Enzo 2021-01-17 21:28:19 +01:00
e2e6567947 oscillator strenght 2021-01-17 21:23:36 +01:00
71254a83b4 cleanup bib 2021-01-17 20:18:37 +01:00
ae9674c03f saving work in H2 2021-01-17 15:25:29 +01:00
1912a3875f saving work in H2 2021-01-17 15:11:21 +01:00
7a3d60c3f4 saving work 2021-01-17 10:06:31 +01:00
e7c1acf66a saving work 2021-01-17 09:58:57 +01:00
cb8bbbcf55 fci outputs 2021-01-16 20:18:04 +01:00
ae42fa3f92 saving work in Be 2021-01-16 14:25:33 +01:00
a48eed1393 saving work in Be 2021-01-16 13:48:36 +01:00
1db56f7dd2 Be big basis 2021-01-15 22:59:16 +01:00
230de50013 cbutadiene results q-chem 2021-01-15 11:21:40 +01:00
7eca342a8a rearrangement 2021-01-15 11:15:57 +01:00
3f84c3cc51 cbutadiene results 2021-01-15 11:10:58 +01:00
40166bb38c Be results 2021-01-15 11:04:59 +01:00
19fd545614 Be results 2021-01-15 11:03:18 +01:00
92c2724190 Figure BSE + Tables 2021-01-15 11:01:01 +01:00
05bedeaa18 CBD graphs 2021-01-14 22:29:44 +01:00
d8fc754bb4 manuscript 2021-01-14 17:45:19 +01:00
fe803e953e figures 2021-01-14 17:33:30 +01:00
962267e5df figures and Manuscript 2021-01-14 17:32:26 +01:00
f58e21bfca bla bla bla 2021-01-14 15:15:01 +01:00
9479802861 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-14 15:12:46 +01:00
4ecf3f7cff blablabla 2021-01-14 15:12:27 +01:00
b15921d615 bla bla bla 2021-01-14 15:11:30 +01:00
e13c8c5766 Manuscript 2021-01-14 10:48:03 +01:00
da082e6784 figures 2021-01-14 08:22:43 +01:00
89e4709884 Manuscript 2021-01-13 12:07:01 +01:00
9257c70b8e modifs again 2021-01-13 10:15:19 +01:00
4048b358af Manuscript 2021-01-13 09:57:10 +01:00
c7d03c369a modifications in computational details 2021-01-13 09:43:24 +01:00
aed52338dd Figures for H2 2021-01-12 21:35:31 +01:00
9c63827e21 Manuscript 2021-01-12 11:48:36 +01:00
122bcbae58 Notebook + Manuscript 2021-01-12 10:06:42 +01:00
00cf2ba88b Notebook + Manuscript 2021-01-12 10:02:57 +01:00
ec35e13a16 minor changes 2021-01-11 10:46:21 +01:00
1c9454fd45 saving work before meeting 2021-01-11 09:52:33 +01:00
058d9d7fae Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-11 09:45:27 +01:00
74bc1fa443 saving work before meeting 2021-01-11 09:45:19 +01:00