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3c4a27459d
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CR-CC23
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2021-07-26 18:01:20 +02:00 |
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75bb0f8dc2
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/Ec
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2021-07-26 17:08:50 +02:00 |
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93d6490aac
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save b4 pull
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2021-07-26 17:08:45 +02:00 |
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7234f9ff03
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Added GAMESS files
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2021-07-26 17:07:27 +02:00 |
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a106049201
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Added refs for Gamess
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2021-07-26 15:14:15 +02:00 |
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4e9035d08c
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Added GAMESS CC results
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2021-07-26 15:02:40 +02:00 |
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b026cbdea7
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2021-07-26 11:39:43 +02:00 |
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2fe13afd6f
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Modifs Toto
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2021-07-26 11:39:37 +02:00 |
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f08592a6d1
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conclusion
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2021-07-26 11:14:01 +02:00 |
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67b47d9987
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OK up to conclusion
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2021-07-25 22:29:36 +02:00 |
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5a713742d6
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OK up to res
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2021-07-25 22:17:00 +02:00 |
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f028a860db
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moving down computational details
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2021-07-25 22:02:35 +02:00 |
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d5bb4a2a4e
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acknowledgement and cpu hours
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2021-07-25 21:05:24 +02:00 |
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db36e70094
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OK with results
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2021-07-23 18:25:16 +02:00 |
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b57c6eedc6
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saving work in 2nd part of results
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2021-07-23 16:24:13 +02:00 |
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26cc3293fa
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saving work in benchmark section
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2021-07-23 12:14:07 +02:00 |
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eeec28a26c
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small modifications in III
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2021-07-21 15:59:33 +02:00 |
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d5b2568371
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Typos
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2021-07-21 11:44:35 +02:00 |
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11c9c7bb71
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saving work b4 2nd pfizer jab
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2021-07-21 11:13:24 +02:00 |
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c0020a4f5c
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saving work in res
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2021-07-21 09:34:26 +02:00 |
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3a29046e6a
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corrections Yann and new figure
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2021-07-20 22:00:08 +02:00 |
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a0f1b71a87
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corrections Yann and new figure
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2021-07-20 21:51:49 +02:00 |
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6c852ab3e5
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new tables with errors
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2021-07-20 20:29:50 +02:00 |
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265a12dcfc
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fix few typos
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2021-07-20 16:28:51 +02:00 |
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43df8491db
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fix few typos
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2021-07-20 16:00:15 +02:00 |
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91e4365250
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saving res
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2021-07-20 15:01:48 +02:00 |
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34b89845fd
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1st draft of Sec III
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2021-07-20 14:26:18 +02:00 |
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409cfbc1cd
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saving work
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2021-07-20 10:07:15 +02:00 |
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e419811229
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saving work
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2021-07-19 19:54:44 +02:00 |
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57d06f35f5
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saving work in theory section
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2021-07-19 13:57:42 +02:00 |
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07e6f4e4e8
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saving work before OO section
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2021-07-07 10:25:00 +02:00 |
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0c275a5e7f
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Add .gitignore for the manuscript
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2021-07-06 14:26:27 +02:00 |
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bafd18ce0f
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2021-07-05 10:57:32 +02:00 |
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c75227b365
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Update pyrazine
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2021-07-05 10:57:25 +02:00 |
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38a764c47b
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saving work
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2021-07-02 07:18:33 +02:00 |
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ba41228f5a
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working on equations
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2021-07-01 22:58:59 +02:00 |
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1f080ced43
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updated data
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2021-07-01 09:08:52 +02:00 |
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947fbf4a06
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/Ec
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2021-06-29 13:36:28 +02:00 |
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a7cee51673
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update data
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2021-06-29 13:36:24 +02:00 |
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9d9333ca7a
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update
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2021-06-29 13:29:56 +02:00 |
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3838651ebc
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module
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2021-06-29 13:15:31 +02:00 |
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233a4b45d3
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update
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2021-06-27 23:02:23 +02:00 |
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25dbfafcd3
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Added data files
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2021-06-27 22:55:47 +02:00 |
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2e34149864
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Added optimized MOs
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2021-06-21 14:43:56 +02:00 |
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766bca7c3e
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Added MOs
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2021-06-21 14:08:00 +02:00 |
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1c6a896a41
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Added geometries
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2021-06-21 14:02:06 +02:00 |
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798c9f16a1
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Added outputs in output
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2021-06-21 14:01:29 +02:00 |
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fc3a82f2b6
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saving work in CIPSI section
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2021-06-19 07:08:49 +02:00 |
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986c671422
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saving work in comp details
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2021-06-18 22:11:12 +02:00 |
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e52c280883
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saving work in manuscript
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2021-06-18 11:41:56 +02:00 |
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