Commit Graph

100 Commits

Author SHA1 Message Date
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
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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
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d736e7148e restart benzene 2020-11-26 20:40:53 +01:00
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50f3e4de26 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec 2020-11-26 20:16:20 +01:00
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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
40cf40565d update triazine 2020-11-17 09:15:36 +01:00
f8b215b84d Update outputs 2020-11-16 13:46:57 +01:00
6395c0b8de Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec 2020-11-16 09:46:27 +01:00
d60a5b1a2c Update outputs 2020-11-16 09:46:09 +01:00
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b38143182a update olympe 2020-11-16 08:40:24 +01:00
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b0b90854ff Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec 2020-11-16 08:39:15 +01:00
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6da1471c47 update olympe 2020-11-16 08:38:49 +01:00
2af76a2c14 update CCSDTQ 2020-11-15 16:00:55 +01:00
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f932c685ca update benzene loc 2020-11-14 10:54:19 +01:00
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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
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224c5f110a Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec 2020-11-10 20:33:31 +01:00