Commit Graph

217 Commits

Author SHA1 Message Date
d2bff759bb Zenodo 2021-07-31 21:56:07 +02:00
7cb1e11daf Data for SI 2021-07-31 21:49:09 +02:00
0bb3ef2ed6 getting reading for SI 2021-07-31 21:46:20 +02:00
73edaa36eb ready for submission 2021-07-31 21:06:08 +02:00
ca46b5e912 saving work 2021-07-31 15:09:42 +02:00
e1762f8536 Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec 2021-07-31 03:41:05 +02:00
a1ffc5f27e Tetrazine output 2021-07-31 03:41:00 +02:00
179eca38df Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec 2021-07-31 03:40:26 +02:00
d236bd67ab tetrazine 2021-07-31 03:40:16 +02:00
4bac2c76c6 correction Denis 2021-07-30 22:57:28 +02:00
51c964415c remove JCP 2021-07-30 14:15:05 +02:00
5d84fc7a2b Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec 2021-07-30 11:36:25 +02:00
58e1f8c8dc correction Mika 2021-07-30 11:36:20 +02:00
7ef7e80094 Outputs 2021-07-30 11:29:51 +02:00
966e02d4a6 Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec 2021-07-30 11:22:54 +02:00
ced5dba91d Added tetrazine 2021-07-30 11:22:20 +02:00
9071a249fe 10^-4 2021-07-29 22:27:20 +02:00
d247c3b329 last data benzene et other 2021-07-29 22:00:05 +02:00
5b9b8ec489 benzene+pyridine NO OK 2021-07-29 19:22:54 +02:00
1b716b14a6 cover letter 2021-07-28 22:00:53 +02:00
ab71eb1a11 cover letter 2021-07-28 21:48:01 +02:00
f8ce326afd ref update 2021-07-28 21:47:37 +02:00
b1f8117f51 Correction Fabris again 2021-07-28 21:33:56 +02:00
beeb195dfe Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec 2021-07-28 21:29:50 +02:00
7e56702886 Fabris corrections 2021-07-28 21:29:43 +02:00
kossoski
79fb0fdafa macroiteration 2021-07-28 14:10:26 +02:00
kossoski
4c01ba3e6a corrections Secs. IV and V 2021-07-28 13:48:05 +02:00
kossoski
3493690217 corrections Secs. II and III 2021-07-28 12:44:06 +02:00
kossoski
d8a7c6552f corrections Sec. I 2021-07-28 12:08:49 +02:00
6e004d4677 mimi comments 2021-07-28 11:01:08 +02:00
e2b4381370 minor corrections b4 sending it to coauthors 2021-07-27 14:26:03 +02:00
21e45f7366 adding CR-CC results and references 2021-07-26 18:15:07 +02:00
3c4a27459d CR-CC23 2021-07-26 18:01:20 +02:00
75bb0f8dc2 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec 2021-07-26 17:08:50 +02:00
93d6490aac save b4 pull 2021-07-26 17:08:45 +02:00
7234f9ff03 Added GAMESS files 2021-07-26 17:07:27 +02:00
a106049201 Added refs for Gamess 2021-07-26 15:14:15 +02:00
4e9035d08c Added GAMESS CC results 2021-07-26 15:02:40 +02:00
b026cbdea7 Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec 2021-07-26 11:39:43 +02:00
2fe13afd6f Modifs Toto 2021-07-26 11:39:37 +02:00
f08592a6d1 conclusion 2021-07-26 11:14:01 +02:00
67b47d9987 OK up to conclusion 2021-07-25 22:29:36 +02:00
5a713742d6 OK up to res 2021-07-25 22:17:00 +02:00
f028a860db moving down computational details 2021-07-25 22:02:35 +02:00
d5bb4a2a4e acknowledgement and cpu hours 2021-07-25 21:05:24 +02:00
db36e70094 OK with results 2021-07-23 18:25:16 +02:00
b57c6eedc6 saving work in 2nd part of results 2021-07-23 16:24:13 +02:00
26cc3293fa saving work in benchmark section 2021-07-23 12:14:07 +02:00
eeec28a26c small modifications in III 2021-07-21 15:59:33 +02:00
d5b2568371 Typos 2021-07-21 11:44:35 +02:00