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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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47046bd456
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results SF-TDDFT
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2021-03-02 16:38:46 +01:00 |
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56618611f1
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SF-TDDFT CBD
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2021-03-01 16:10:06 +01:00 |
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2c69b6f367
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nb
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2021-02-28 21:25:21 +01:00 |
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ca4107bdbf
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input and ouput CBD
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2021-02-11 21:58:22 +01:00 |
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d2dd1d1c3f
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input and output
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2021-02-08 15:47:19 +01:00 |
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815a2151e5
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EOM-SF-CC_2_3 AVDZ
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2021-02-08 08:06:51 +01:00 |
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3518fdf8cf
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SF-ADC
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2021-02-07 21:28:25 +01:00 |
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df807238bb
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SF-ADC(3)
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2021-02-03 22:00:21 +01:00 |
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67a96a04e5
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input and output
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2021-02-01 15:17:49 +01:00 |
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0c24f2fb95
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input and ouput
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2021-02-01 08:56:47 +01:00 |
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f0dbe0dc68
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input and ouput
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2021-02-01 08:55:05 +01:00 |
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c5b9b7804f
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input and output
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2021-02-01 07:22:00 +01:00 |
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82eb0e4b59
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input and output CBD
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2021-01-29 08:03:48 +01:00 |
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51c9779fca
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input and output
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2021-01-27 17:11:52 +01:00 |
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4dc53d6a02
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input and output
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2021-01-27 16:58:52 +01:00 |
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d8ab899fe8
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input and output SF-ADC
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2021-01-26 18:30:12 +01:00 |
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52bcc20123
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input and output
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2021-01-25 21:03:02 +01:00 |
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dc79358c1e
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input and output
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2021-01-25 17:35:21 +01:00 |
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66c2bb8d76
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notebook
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2021-01-25 16:33:40 +01:00 |
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c62cf97735
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first commit
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2021-01-25 16:33:16 +01:00 |
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