Commit Graph

133 Commits

Author SHA1 Message Date
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
7e2bca66bb H2 TDDFT output Gaussian 2021-01-11 08:42:30 +01:00
519ff3e7ef Be results 2021-01-10 23:10:46 +01:00
533c3d7818 reformating Be table 2021-01-10 18:45:45 +01:00
2da59d658e tables for Enzo 2021-01-10 16:30:46 +01:00
bdec9c5d50 CBD 2021-01-10 15:33:06 +01:00
0d69af0648 output CBD SF-BSE 2021-01-07 14:35:16 +01:00
3be10cd06c Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-07 14:32:41 +01:00
3df217e905 output cbutadiene SF-ADC 2021-01-07 14:30:25 +01:00
9125b4dd89 Notebooks 2021-01-06 16:11:56 +01:00
5d6d197805 output 2021-01-06 16:10:05 +01:00
777e4c57c7 output 2021-01-06 16:05:07 +01:00
f1209227e7 rearrangement 2021-01-06 15:47:42 +01:00
8ab1ec636f Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-05 08:19:40 +01:00
0df1966eb0 output 2021-01-05 08:19:11 +01:00
560965bd1c read everything up to results 2020-12-09 23:02:47 +01:00