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53abf1f278
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Remove isCorrectedTBE function
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2020-03-30 16:36:42 +02:00 |
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5226082616
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Simplify fileName building
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2020-03-28 13:00:17 +01:00 |
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caf0ef124f
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Fix first symmetry alignment
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2020-03-27 14:35:01 +01:00 |
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76d4582c83
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Fix doublon assertion
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2020-03-26 17:58:27 +01:00 |
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52f536a654
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Fix RequestHeader
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2020-03-26 17:44:44 +01:00 |
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b171001b38
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Remove cache for text files
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2020-03-20 11:10:56 +01:00 |
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b9919ef184
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Change excitationTypes names
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2020-03-20 11:09:48 +01:00 |
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110d8e9819
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Add CBS to experimental
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2020-03-20 10:32:24 +01:00 |
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24079012e8
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Delete active space data
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2020-03-20 10:28:33 +01:00 |
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c771568bb5
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-19 18:07:02 +01:00 |
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9bce112b27
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Better design for publication page
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2020-03-19 18:06:29 +01:00 |
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c78ec858fb
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-19 16:27:17 +01:00 |
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9d3c413239
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Fix double are unsafe
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2020-03-19 16:26:51 +01:00 |
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655a30d78f
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Add "The Quest for Highly Accurate Excitation Energies: A Computational Perspective review" to other publications
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2020-03-18 15:34:59 +01:00 |
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36eec9e7b2
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FIx code for other publications
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2020-03-18 15:34:16 +01:00 |
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78aea33f81
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-18 15:02:20 +01:00 |
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ac60bbb978
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Merge branch 'publis.yaml' into TBE
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2020-03-18 14:54:37 +01:00 |
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b6d180c933
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Delete old file format
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2020-03-18 14:27:47 +01:00 |
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7d8528ac49
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Fix typo
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2020-03-18 13:38:49 +01:00 |
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cc9e167726
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Fix formaldehyde STEOM bad method
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2020-03-17 19:00:44 +01:00 |
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622a7dae6a
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Fix T1 and oscilatorForces inversion
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2020-03-17 14:00:31 +01:00 |
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97f25af23d
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Add unsafe assertion
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2020-03-17 13:48:42 +01:00 |
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66e47a46ee
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Fix FC
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2020-03-15 17:49:22 +01:00 |
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b726587820
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Don't use array for the value of sdatdic
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2020-03-14 17:46:12 +01:00 |
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df21468622
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Add assertions
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2020-03-14 17:29:47 +01:00 |
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91781b1c1d
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Fix number for nitrosomethane CC3 6-31+G(d)
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2020-03-11 10:52:16 +01:00 |
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14446864b5
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Fix unsafe
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2020-03-11 10:34:19 +01:00 |
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fc44b1e391
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Fix QUEST#1
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2020-03-10 19:34:50 +01:00 |
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2b7feb4b26
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Support $\sim$
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2020-03-10 18:36:05 +01:00 |
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fcf71efa1e
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Regenerate QUEST#1
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2020-03-10 18:31:13 +01:00 |
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0b121ee99c
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Fix examples
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2020-03-10 14:21:21 +01:00 |
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4d4bf40b0b
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Create the metarecover tool
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2020-03-10 12:59:49 +01:00 |
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b9822026c4
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Fix streptocyanine-Ci in example
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2020-03-09 14:50:50 +01:00 |
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fdc573d9cf
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Merge branch 'TBE' into QUEST#3
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2020-03-08 16:17:29 +01:00 |
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828fa5cf6c
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Add description class and simplify lables
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2020-03-08 16:17:04 +01:00 |
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1f15b5c429
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Merge branch 'master' into QUEST#3
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2020-03-07 13:53:09 +01:00 |
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35d0d2aefc
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Merge branch 'master' into TBE
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2020-03-07 13:51:33 +01:00 |
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da992f7edc
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Change website name
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2020-03-07 13:50:16 +01:00 |
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477be17a5a
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Fix empty files
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2020-03-07 13:12:54 +01:00 |
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8cd5a984c4
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Fix QUEST#3
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2020-03-07 12:45:37 +01:00 |
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f30d271ae7
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Regenerate QUEST#3
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2020-03-05 14:53:51 +01:00 |
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d4101a7f96
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Create the metarecover tool
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2020-03-05 14:52:42 +01:00 |
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4ca9f30fd4
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Add FCI2-Si example
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2020-02-29 15:39:19 +01:00 |
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4146474790
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Merge branch 'TBE' into QUEST#3
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2020-02-29 15:35:19 +01:00 |
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5b6998c0d0
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Fix space
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2020-02-29 15:33:09 +01:00 |
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7441257b01
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Merge branch 'TBE' into QUEST#3
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2020-02-29 15:06:37 +01:00 |
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6af861727e
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Fix space
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2020-02-29 15:06:12 +01:00 |
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ff248558fb
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Fix \prime
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2020-02-28 18:25:51 +01:00 |
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0ecb6a26f6
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Merge branch 'TBE' into QUEST#3
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2020-02-28 16:10:26 +01:00 |
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e10ade912a
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fix file name for streptocyanine-C1
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2020-02-28 16:04:44 +01:00 |
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