Commit Graph

141 Commits

Author SHA1 Message Date
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
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bfbbb68667 loc furan 2020-11-05 10:29:28 +01:00
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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
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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
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4e38eaeed2 update t2 2020-11-03 09:25:08 +01:00
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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
3b8e94e102 Add run and xyz for cyclopentadiene cc-pvtz 2020-10-27 11:18:34 +01:00
d1216bbb33 Add firsts output of cyclopentadiene cc-pvdz 2020-10-27 11:04:04 +01:00
fbfb5d99d6 Add cyclopentadiene.xyz 2020-10-27 10:21:05 +01:00
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8924440d7f cyclopentadiene 2020-10-27 09:42:09 +01:00
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2c7df8148f Denis results for furan 2020-10-26 22:10:18 +01:00
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69607b62d1 benzene and furan 2020-10-26 21:58:41 +01:00
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c7c8784731 first commit 2020-10-26 21:56:59 +01:00