2487
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7acf27006e
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6-31g furan
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2021-01-02 15:30:56 +01:00 |
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2487
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2f6cc68cb2
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
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2020-12-12 09:13:54 +01:00 |
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2487
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e54c21c394
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update benzene furan
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2020-12-12 09:13:25 +01:00 |
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bc03a14384
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Restart localized imidazole
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2020-12-10 11:38:52 +01:00 |
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69b10b4854
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Restart localized for cyclopentadiene
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2020-12-10 11:34:29 +01:00 |
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637b68b181
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Update outpus
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2020-12-10 11:28:58 +01:00 |
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e1666176b3
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Localize triazine
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2020-12-10 10:56:28 +01:00 |
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be61da91ed
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Localize thiophene
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2020-12-10 10:49:13 +01:00 |
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5e729a044d
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Update outputs
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2020-12-09 09:57:38 +01:00 |
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a013d0b12e
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Localize tetrazine
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2020-12-09 09:55:41 +01:00 |
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20629d0c6f
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input and output Denis
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2020-12-09 08:33:28 +01:00 |
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f6f6f11098
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nb
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2020-12-08 21:58:57 +01:00 |
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991cc2a0b6
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
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2020-12-08 21:17:09 +01:00 |
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13213f0512
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update nb
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2020-12-08 21:16:56 +01:00 |
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f7b1cb369f
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Update files
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2020-12-05 15:36:29 +01:00 |
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d1a02c97da
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Localize pyrrole
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2020-12-05 15:35:17 +01:00 |
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59ee1f9709
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Localize pyrimidine
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2020-12-05 15:31:23 +01:00 |
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54eecb1fbc
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Localise pyridine
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2020-12-05 15:04:11 +01:00 |
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8ec67ddc19
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Localize pyridazine
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2020-12-04 11:51:51 +01:00 |
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31d2640f60
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Update outputs
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2020-12-04 11:50:04 +01:00 |
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3c54081d5f
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2020-11-30 11:19:56 +01:00 |
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87fdb04442
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Run localization of pyrazine
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2020-11-30 11:19:37 +01:00 |
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78b2e9cfdb
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Localize pyrazine
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2020-11-30 11:15:24 +01:00 |
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868ae255ea
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
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2020-11-30 10:33:56 +01:00 |
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465871b428
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last CCSDTQ
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2020-11-30 10:33:48 +01:00 |
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12a43c8aa0
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2020-11-30 09:58:44 +01:00 |
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8b3333a9d3
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Update outputs
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2020-11-30 09:58:00 +01:00 |
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2487
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1565c1d417
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update furan benzene
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2020-11-28 21:55:44 +01:00 |
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758f25a7e9
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script Toto
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2020-11-27 12:13:02 +01:00 |
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8f04bfc471
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CIPSI for benzene and furan
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2020-11-27 12:10:04 +01:00 |
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2487
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9512751057
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restart furan and benzene
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2020-11-27 12:03:38 +01:00 |
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c24093392c
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mv CC.txt
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2020-11-27 11:12:05 +01:00 |
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2487
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d736e7148e
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restart benzene
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2020-11-26 20:40:53 +01:00 |
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2487
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50f3e4de26
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
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2020-11-26 20:16:20 +01:00 |
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2487
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8d66ee875f
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update
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2020-11-26 20:15:38 +01:00 |
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4a287677e7
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Update outputs
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2020-11-20 11:01:37 +01:00 |
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a5fb4c651b
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Starting imidazole localized
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2020-11-20 11:00:02 +01:00 |
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ae7c648603
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Fix imidazole ang
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2020-11-20 09:47:54 +01:00 |
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725b5469a2
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Fix imidazole.ang missing
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2020-11-19 15:45:37 +01:00 |
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ba6028ff86
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Start localize imidazole
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2020-11-19 10:56:09 +01:00 |
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c5e680b63a
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Update outputs
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2020-11-19 10:52:40 +01:00 |
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ab67b8b224
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Update outpus
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2020-11-18 10:01:08 +01:00 |
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21a4c1d900
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Add localization failed slurm file
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2020-11-17 10:16:13 +01:00 |
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e84676af87
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2020-11-17 10:13:55 +01:00 |
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bb8aada7f2
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Add preparation files for localization of cyclopentadiene
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2020-11-17 10:13:38 +01:00 |
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40cf40565d
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update triazine
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2020-11-17 09:15:36 +01:00 |
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f8b215b84d
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Update outputs
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2020-11-16 13:46:57 +01:00 |
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6395c0b8de
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2020-11-16 09:46:27 +01:00 |
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d60a5b1a2c
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Update outputs
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2020-11-16 09:46:09 +01:00 |
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2487
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b38143182a
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update olympe
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2020-11-16 08:40:24 +01:00 |
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