|
|
db123b85ab
|
Restart pyridine
|
2020-12-17 13:46:40 +01:00 |
|
|
|
f8d47d66d7
|
Update outputs
|
2020-12-17 09:21:54 +01:00 |
|
|
|
8e4cc3aebc
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-12-15 10:10:40 +01:00 |
|
|
|
779cb275fe
|
Restart localized pyridazine
|
2020-12-15 10:09:56 +01:00 |
|
|
|
7ca70a88bd
|
Update outputs
|
2020-12-15 10:03:39 +01:00 |
|
2487
|
2f6cc68cb2
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-12-12 09:13:54 +01:00 |
|
2487
|
e54c21c394
|
update benzene furan
|
2020-12-12 09:13:25 +01:00 |
|
|
|
71ebb4b9af
|
Restart localized pyrazine
|
2020-12-11 10:37:45 +01:00 |
|
|
|
bc03a14384
|
Restart localized imidazole
|
2020-12-10 11:38:52 +01:00 |
|
|
|
69b10b4854
|
Restart localized for cyclopentadiene
|
2020-12-10 11:34:29 +01:00 |
|
|
|
637b68b181
|
Update outpus
|
2020-12-10 11:28:58 +01:00 |
|
|
|
e1666176b3
|
Localize triazine
|
2020-12-10 10:56:28 +01:00 |
|
|
|
be61da91ed
|
Localize thiophene
|
2020-12-10 10:49:13 +01:00 |
|
|
|
5e729a044d
|
Update outputs
|
2020-12-09 09:57:38 +01:00 |
|
|
|
a013d0b12e
|
Localize tetrazine
|
2020-12-09 09:55:41 +01:00 |
|
|
|
20629d0c6f
|
input and output Denis
|
2020-12-09 08:33:28 +01:00 |
|
|
|
f6f6f11098
|
nb
|
2020-12-08 21:58:57 +01:00 |
|
|
|
991cc2a0b6
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-12-08 21:17:09 +01:00 |
|
|
|
13213f0512
|
update nb
|
2020-12-08 21:16:56 +01:00 |
|
|
|
f7b1cb369f
|
Update files
|
2020-12-05 15:36:29 +01:00 |
|
|
|
d1a02c97da
|
Localize pyrrole
|
2020-12-05 15:35:17 +01:00 |
|
|
|
59ee1f9709
|
Localize pyrimidine
|
2020-12-05 15:31:23 +01:00 |
|
|
|
54eecb1fbc
|
Localise pyridine
|
2020-12-05 15:04:11 +01:00 |
|
|
|
8ec67ddc19
|
Localize pyridazine
|
2020-12-04 11:51:51 +01:00 |
|
|
|
31d2640f60
|
Update outputs
|
2020-12-04 11:50:04 +01:00 |
|
|
|
3c54081d5f
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-11-30 11:19:56 +01:00 |
|
|
|
87fdb04442
|
Run localization of pyrazine
|
2020-11-30 11:19:37 +01:00 |
|
|
|
78b2e9cfdb
|
Localize pyrazine
|
2020-11-30 11:15:24 +01:00 |
|
|
|
868ae255ea
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-11-30 10:33:56 +01:00 |
|
|
|
465871b428
|
last CCSDTQ
|
2020-11-30 10:33:48 +01:00 |
|
|
|
12a43c8aa0
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-11-30 09:58:44 +01:00 |
|
|
|
8b3333a9d3
|
Update outputs
|
2020-11-30 09:58:00 +01:00 |
|
2487
|
1565c1d417
|
update furan benzene
|
2020-11-28 21:55:44 +01:00 |
|
|
|
758f25a7e9
|
script Toto
|
2020-11-27 12:13:02 +01:00 |
|
|
|
8f04bfc471
|
CIPSI for benzene and furan
|
2020-11-27 12:10:04 +01:00 |
|
2487
|
9512751057
|
restart furan and benzene
|
2020-11-27 12:03:38 +01:00 |
|
|
|
c24093392c
|
mv CC.txt
|
2020-11-27 11:12:05 +01:00 |
|
2487
|
d736e7148e
|
restart benzene
|
2020-11-26 20:40:53 +01:00 |
|
2487
|
50f3e4de26
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-11-26 20:16:20 +01:00 |
|
2487
|
8d66ee875f
|
update
|
2020-11-26 20:15:38 +01:00 |
|
|
|
4a287677e7
|
Update outputs
|
2020-11-20 11:01:37 +01:00 |
|
|
|
a5fb4c651b
|
Starting imidazole localized
|
2020-11-20 11:00:02 +01:00 |
|
|
|
ae7c648603
|
Fix imidazole ang
|
2020-11-20 09:47:54 +01:00 |
|
|
|
725b5469a2
|
Fix imidazole.ang missing
|
2020-11-19 15:45:37 +01:00 |
|
|
|
ba6028ff86
|
Start localize imidazole
|
2020-11-19 10:56:09 +01:00 |
|
|
|
c5e680b63a
|
Update outputs
|
2020-11-19 10:52:40 +01:00 |
|
|
|
ab67b8b224
|
Update outpus
|
2020-11-18 10:01:08 +01:00 |
|
|
|
21a4c1d900
|
Add localization failed slurm file
|
2020-11-17 10:16:13 +01:00 |
|
|
|
e84676af87
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-11-17 10:13:55 +01:00 |
|
|
|
bb8aada7f2
|
Add preparation files for localization of cyclopentadiene
|
2020-11-17 10:13:38 +01:00 |
|
