2487
|
3feab58cab
|
update benzene loc
|
2020-11-14 10:51:02 +01:00 |
|
|
|
8995ff7739
|
Add triazine
|
2020-11-12 16:06:39 +01:00 |
|
|
|
63016016a2
|
Add thiophene
|
2020-11-12 16:05:56 +01:00 |
|
|
|
af223bf746
|
Add tetrazine
|
2020-11-12 13:36:03 +01:00 |
|
|
|
a7e7f6fd1e
|
Update outputs
|
2020-11-12 11:07:54 +01:00 |
|
|
|
c6b7d257cf
|
Add pyrrole
|
2020-11-12 11:07:00 +01:00 |
|
2487
|
224c5f110a
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-11-10 20:33:31 +01:00 |
|
2487
|
4fe47620f6
|
update T2
|
2020-11-10 20:33:15 +01:00 |
|
|
|
3d07f90f3a
|
using cis to solve scf problem
|
2020-11-10 10:07:46 +01:00 |
|
2487
|
65afc9a022
|
new script
|
2020-11-10 09:56:49 +01:00 |
|
|
|
0cd37f76be
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-11-10 09:34:44 +01:00 |
|
|
|
29011357cb
|
Update outputs
|
2020-11-10 09:34:31 +01:00 |
|
|
|
2da080d65c
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-11-08 13:15:52 +01:00 |
|
|
|
10b86cc7ab
|
update Denis
|
2020-11-08 13:15:44 +01:00 |
|
|
|
4a439546c5
|
update output and new calculation pyridine and pyrimidine
|
2020-11-08 12:08:44 +01:00 |
|
|
|
85563ad874
|
MP5 done
|
2020-11-06 00:00:45 +01:00 |
|
|
|
b2175cae95
|
MP5
|
2020-11-06 00:00:20 +01:00 |
|
|
|
273355f82c
|
working on manuscript
|
2020-11-05 22:33:37 +01:00 |
|
|
|
674052c516
|
update CC4
|
2020-11-05 11:58:05 +01:00 |
|
|
|
4aeba658f6
|
Update output files
|
2020-11-05 11:14:40 +01:00 |
|
2487
|
bfbbb68667
|
loc furan
|
2020-11-05 10:29:28 +01:00 |
|
2487
|
9d00dc4e17
|
localization scripts
|
2020-11-04 16:04:33 +01:00 |
|
|
|
7d57488314
|
update manuscript
|
2020-11-04 10:50:15 +01:00 |
|
|
|
7ecace60b4
|
furan CC
|
2020-11-04 09:36:54 +01:00 |
|
|
|
60fecd136f
|
MP5 and CCSD(T)
|
2020-11-04 09:24:53 +01:00 |
|
|
|
c9b5d4a455
|
Update cyclopentadiene and imidazole
|
2020-11-04 08:56:32 +01:00 |
|
|
|
38f9749788
|
update MP5 and CCSD(T)
|
2020-11-03 22:42:28 +01:00 |
|
2487
|
548dd4bbbb
|
benzene
|
2020-11-03 22:26:03 +01:00 |
|
|
|
a9ef1ec929
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-11-03 17:00:10 +01:00 |
|
|
|
e8c8bf7803
|
Add pyridine and pyrimidine
|
2020-11-03 16:59:57 +01:00 |
|
|
|
3ad460396b
|
MP5
|
2020-11-03 16:58:13 +01:00 |
|
|
|
ee70f78f81
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-11-03 14:56:12 +01:00 |
|
|
|
d61a13bce9
|
tabs manuscript
|
2020-11-03 14:56:06 +01:00 |
|
|
|
c2a8f8e909
|
Add pyridazine
|
2020-11-03 14:28:44 +01:00 |
|
|
|
af0fd6848a
|
Add pyrazine
|
2020-11-03 14:19:53 +01:00 |
|
|
|
dd2bdc587d
|
sort
|
2020-11-03 13:30:39 +01:00 |
|
|
|
b5d7f9e0db
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
|
2020-11-03 12:27:09 +01:00 |
|
|
|
a79ae2911e
|
update denis MP3 MP4 CC2
|
2020-11-03 12:26:59 +01:00 |
|
|
|
6e3e153d6d
|
Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
|
2020-11-03 10:21:36 +01:00 |
|
|
|
186ff52171
|
out update
|
2020-11-03 10:20:46 +01:00 |
|
|
|
90e6cb05bb
|
update Denis
|
2020-11-03 09:39:14 +01:00 |
|
2487
|
4e38eaeed2
|
update t2
|
2020-11-03 09:25:08 +01:00 |
|
2487
|
ce030db9b3
|
update t2 olympe
|
2020-11-02 20:40:47 +01:00 |
|
|
|
2ca637dfc5
|
data Denis
|
2020-11-02 20:39:39 +01:00 |
|
|
|
f06a8b89b2
|
Update out
|
2020-10-29 14:57:16 +01:00 |
|
|
|
a1c4df8d82
|
Manuscript
|
2020-10-28 15:21:47 +01:00 |
|
|
|
365324766f
|
Add imidazole out
|
2020-10-28 11:47:46 +01:00 |
|
|
|
b8ca07ea4a
|
Add all out for cyclopentadiene
|
2020-10-28 11:22:31 +01:00 |
|
|
|
b4ba8ec19e
|
Add imidazole
|
2020-10-28 11:11:28 +01:00 |
|
|
|
bc3ddcd73d
|
Add first outputs for cyclopentadiene cc-pvtz
|
2020-10-27 11:20:24 +01:00 |
|
