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d3f2cec7a4
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OK with revisions
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2022-06-07 09:29:15 +02:00 |
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566de9c3ca
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CASSCF fig
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2022-06-03 10:10:31 +02:00 |
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c3a47a403b
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creating response letter
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2022-05-27 12:32:50 +02:00 |
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Pierre-Francois Loos
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7d7fb38bf5
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Martial addon
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2022-04-13 17:49:39 +02:00 |
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Pierre-Francois Loos
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461c27ed9b
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cover letter
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2022-04-11 22:44:25 +02:00 |
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Pierre-Francois Loos
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f8ecee62be
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rename figs
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2022-04-11 22:41:40 +02:00 |
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Pierre-Francois Loos
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325f3ab06b
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OK for T2
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2022-04-11 22:38:40 +02:00 |
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Pierre-Francois Loos
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8fab3b3d12
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cover letter
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2022-04-11 22:00:19 +02:00 |
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Pierre-Francois Loos
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e8558b063c
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last denis comment
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2022-04-06 09:14:41 +02:00 |
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0063cb75b0
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cleaning up denis
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2022-04-05 14:07:36 +02:00 |
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7b2e56703d
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corrections denis
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2022-04-05 13:32:16 +02:00 |
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80c64921f8
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sent to Denis
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2022-04-05 10:30:15 +02:00 |
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Pierre-Francois Loos
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7f7e366c0a
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expanding discussion
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2022-04-04 23:18:37 +02:00 |
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Pierre-Francois Loos
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2511d193c3
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xeon
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2022-03-23 22:36:20 +01:00 |
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Pierre-Francois Loos
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e9eaab35b3
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more graphs
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2022-03-23 15:43:51 +01:00 |
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Pierre-Francois Loos
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cea3ae70f3
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almost done with CASPT3 paper
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2022-03-23 09:46:33 +01:00 |
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19a0db4da2
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starting writing results
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2022-03-21 16:27:40 +01:00 |
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Pierre-Francois Loos
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587c20d629
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timings
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2022-03-20 18:53:38 +01:00 |
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Pierre-Francois Loos
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2058b3cd37
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tables done
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2022-03-19 13:48:41 +01:00 |
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Pierre-Francois Loos
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afa20d93a3
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main table
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2022-03-19 11:21:17 +01:00 |
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Pierre-Francois Loos
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0e19dbf6bb
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notebook
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2022-03-19 07:26:38 +01:00 |
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Pierre-Francois Loos
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6177fc3d79
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xls Denis
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2022-03-19 07:25:52 +01:00 |
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Pierre-Francois Loos
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3165dd5404
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ok with intro
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2022-03-18 22:05:05 +01:00 |
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Pierre-Francois Loos
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77e5e98956
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OK with intro
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2022-03-17 21:44:47 +01:00 |
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Pierre-Francois Loos
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7f6a364ec0
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first draft of introduction
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2022-03-17 18:31:52 +01:00 |
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Pierre-Francois Loos
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b8d3af6a26
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saving work
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2022-03-16 22:13:54 +01:00 |
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Pierre-Francois Loos
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b155e41cf5
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fig1
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2022-03-16 17:19:53 +01:00 |
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Pierre-Francois Loos
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e58852aff0
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sup
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2022-03-16 17:19:37 +01:00 |
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Pierre-Francois Loos
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c2631e0b54
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converted tables in TeX
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2022-03-16 16:58:52 +01:00 |
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Pierre-Francois Loos
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cbf6c41572
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new results for 3 non H
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2022-03-16 16:19:46 +01:00 |
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Pierre-Francois Loos
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f678e0bcbf
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timings
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2022-03-16 12:58:18 +01:00 |
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Pierre-Francois Loos
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05156bd1d2
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data Martial
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2022-03-16 12:56:46 +01:00 |
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Pierre-Francois Loos
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220d3666c8
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update manuscript and data
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2022-03-16 11:55:01 +01:00 |
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Pierre-Francois Loos
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6af62b65e8
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acrolein
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2022-03-14 22:25:10 +01:00 |
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Pierre-Francois Loos
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8c35211fe9
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initial commit with data
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2022-03-09 15:04:23 +01:00 |
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Pierre-Francois Loos
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519afd2b56
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first commit
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2022-03-09 15:03:33 +01:00 |
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