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0a4512c20c
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outputs D4h SF-TDDFT
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2021-04-15 09:12:36 +02:00 |
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70fa327b71
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-04-15 09:05:31 +02:00 |
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3ea3377b2f
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-04-15 08:28:41 +02:00 |
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910292fa82
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D4h Table updates
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2021-04-15 08:28:24 +02:00 |
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2487
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a94f9faeb6
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remove slurm files
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2021-04-14 11:45:10 +02:00 |
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2487
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f93d5fcff4
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-04-14 11:41:23 +02:00 |
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2487
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5ecada33f8
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CIPSI output files
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2021-04-14 11:41:05 +02:00 |
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1c54b466b4
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Tables D4h
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2021-04-14 11:38:59 +02:00 |
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5fa99d5dbb
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Table D2h
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2021-04-14 09:10:09 +02:00 |
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cbb0aea908
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Table CBD D2h
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2021-04-12 15:57:47 +02:00 |
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e90a525ea9
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CBD Manuscript
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2021-04-12 09:18:02 +02:00 |
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2c26e82e1a
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Manuscript
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2021-04-08 14:25:50 +02:00 |
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9ef6a28f01
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Manuscript
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2021-04-08 13:39:15 +02:00 |
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11afc0b397
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-04-01 07:35:00 +02:00 |
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aafd7970a1
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CBD D4h outputs
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2021-04-01 07:34:22 +02:00 |
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b4ca26d952
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CBD Manuscript
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2021-04-01 07:33:54 +02:00 |
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6ccbd59794
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CBD Manuscript
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2021-03-31 11:55:38 +02:00 |
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f030e6a68f
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D4h outputs
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2021-03-31 07:18:11 +02:00 |
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f778e82ddb
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-03-30 07:50:07 +02:00 |
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ec45f9ae64
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D4h outputs
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2021-03-30 07:49:22 +02:00 |
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9966ab65ab
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last value Toto
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2021-03-29 13:31:19 +02:00 |
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07afd688ac
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last value Toto
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2021-03-29 13:29:51 +02:00 |
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43c7fa3757
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Last data Denis
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2021-03-29 13:22:29 +02:00 |
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5ce348d995
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CBD D4h outputs
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2021-03-29 07:18:27 +02:00 |
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5f8fe6fa6a
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-03-26 16:25:08 +01:00 |
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5e3a9f4574
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Manuscript
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2021-03-26 16:24:52 +01:00 |
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e5ce920e7b
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new data
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2021-03-26 15:48:45 +01:00 |
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1673e49464
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-03-26 07:34:53 +01:00 |
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b2ca65806e
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D4h SF-ADC2-X AVTZ output
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2021-03-26 07:34:07 +01:00 |
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4123acdc9c
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Toto AVDZ
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2021-03-25 16:47:47 +01:00 |
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ea3f206e59
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authors
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2021-03-25 15:22:42 +01:00 |
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e78868d4bc
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authors
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2021-03-25 15:21:12 +01:00 |
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84792b94fb
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Manuscript CBD
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2021-03-25 15:09:46 +01:00 |
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7ccf36a492
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D4h SF-ADC2 AVTZ
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2021-03-25 07:26:12 +01:00 |
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9a0b38b3e1
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D4h outputs
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2021-03-23 15:00:29 +01:00 |
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2ad26002c1
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-03-22 16:57:42 +01:00 |
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b4d0c86196
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SF-TDDFT D4h
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2021-03-22 16:57:11 +01:00 |
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887d747fd1
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-03-22 15:29:53 +01:00 |
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b64b75ca4e
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biblio
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2021-03-22 15:29:47 +01:00 |
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805009bb3d
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D4h outputs
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2021-03-22 07:08:03 +01:00 |
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ec9882ceb5
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2021-03-18 17:18:53 +01:00 |
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d43902953a
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little update SF-ADC2-X
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2021-03-18 17:18:10 +01:00 |
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36695e97ee
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update notebook
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2021-03-18 15:04:15 +01:00 |
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6ba5275df1
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output toto
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2021-03-17 18:13:16 +01:00 |
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3f3edd2efe
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input D4h
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2021-03-15 14:30:41 +01:00 |
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88476360b1
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SF-ADC2-X little update
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2021-03-15 13:27:40 +01:00 |
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8d57088752
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SF-CIS(D) AVDZ
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2021-03-10 11:07:12 +01:00 |
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3d16d414cb
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SF-CIS(D) first basis
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2021-03-10 10:56:58 +01:00 |
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04b4fd9a3b
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B2PLYP
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2021-03-03 08:36:07 +01:00 |
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e024ba8890
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results SF-TDDFT
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2021-03-02 16:40:19 +01:00 |
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