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7d4f25a4b8
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Fix TBE file names
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2020-09-09 13:38:20 +02:00 |
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736d3ab68f
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Align TBE names to CC3
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2020-09-09 13:31:44 +02:00 |
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ced02eba06
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Replace CC3(FC) by CC3 and delete doublons
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2020-09-09 11:36:10 +02:00 |
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802e839829
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Change exFCI to FCI
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2020-09-09 10:00:19 +02:00 |
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557c7b2d42
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Merge branch 'master' into QUEST5
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2020-09-09 09:22:20 +02:00 |
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d2cabb03cb
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Merge branch 'master' into ADC
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2020-09-09 09:21:24 +02:00 |
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7435bb1803
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Add processingIndicator to publications.html
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2020-09-09 09:19:36 +02:00 |
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cbe8631b5f
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Merge branch 'master' into QUEST5
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2020-09-07 09:48:34 +02:00 |
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71114dedd4
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remove unused variable
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2020-09-04 16:34:11 +02:00 |
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4dc10ed0d9
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Remove isSupporting metadata for ADC
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2020-09-04 15:16:54 +02:00 |
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0ef8a7d20e
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Merge branch 'master' into ADC
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2020-09-04 15:09:27 +02:00 |
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7b25b3e580
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Fix bug when DOI is not defined
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2020-09-04 15:08:53 +02:00 |
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0b09a98713
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Remove DOI class
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2020-09-04 14:59:55 +02:00 |
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e21750c8b0
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Remove IsSupporting
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2020-09-04 14:23:54 +02:00 |
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cc330aae66
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Remove not needed lines
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2020-09-04 14:13:52 +02:00 |
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d374da29fa
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Remove ZPE non used code
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2020-09-04 13:44:29 +02:00 |
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7048ffe7ad
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Use set instead of DOI in T1ref
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2020-09-04 12:15:37 +02:00 |
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4b5a0382e2
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Remove not requred method="post" for form_dat
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2020-09-04 10:44:56 +02:00 |
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8223e9928a
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Fix duplicate lines of code
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2020-09-03 17:15:58 +02:00 |
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461e2f8340
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Minor performance improvement
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2020-09-03 17:12:08 +02:00 |
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0359764e55
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Fix VertExcitationKind in stats
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2020-09-03 16:55:26 +02:00 |
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f88b3db214
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Merge branch 'master' into QUEST5
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2020-09-02 16:42:49 +02:00 |
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5f0c0256af
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Merge branch 'master' into ADC
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2020-09-02 16:42:25 +02:00 |
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6ead74674e
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Remove not required (and time-consuming) mathjax typesetting for molecules select
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2020-09-02 16:42:04 +02:00 |
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5ac85b6dca
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Merge branch 'master' into ADC
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2020-09-02 10:03:51 +02:00 |
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de08ccb29d
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Merge branch 'master' into QUEST5
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2020-09-02 10:02:58 +02:00 |
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01ea5ccbb6
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Organize structures by sets not by DOI
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2020-09-02 10:01:42 +02:00 |
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faa9c05449
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Add QUEST#5 geometries
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2020-09-01 18:12:16 +02:00 |
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d337def426
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Add geometries metadata for QUEST#5
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2020-09-01 17:39:29 +02:00 |
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2520f41633
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Merge branch 'master' into QUEST5
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2020-09-01 17:09:39 +02:00 |
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9a71e723d8
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Add geometries for QUEST#4
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2020-08-31 17:22:15 +02:00 |
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25abbb58d9
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Merge branch 'master' into xyz-files
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2020-08-31 10:17:35 +02:00 |
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5a193c1aef
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Add geometrie metadata for QUEST#4
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2020-08-31 10:16:14 +02:00 |
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7280632d77
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Add geometries for QUEST#3
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2020-08-30 17:36:26 +02:00 |
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ed4091eb13
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Add metadatas for QUEST#2 geometries
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2020-08-28 15:04:40 +02:00 |
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4dc8acdef2
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Add beryllium "geometry"
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2020-08-28 15:02:31 +02:00 |
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17c1bb9bff
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Merge branch 'master' into xyz-files
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2020-08-28 14:15:01 +02:00 |
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f8295b8adb
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Add geometrie data for QUEST#2
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2020-08-28 14:14:41 +02:00 |
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1dcbcab424
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Add geometries for QUEST#2 (without comments)
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2020-08-28 14:09:43 +02:00 |
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d57c6f918c
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Add XYZ files for QUEST#1
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2020-08-27 12:59:45 +02:00 |
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f04c1cf3dd
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Merge branch 'master' into QUEST5
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2020-08-26 15:14:53 +02:00 |
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925f6a5e80
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Merge branch 'master' into ADC
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2020-08-26 15:14:13 +02:00 |
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d200c10080
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Delete getPublis.js Replaced by PubliDB.js since 62acffa870
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2020-08-26 15:13:54 +02:00 |
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cdb5f5978c
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Fix error for "Unknow set" (when DOI is not defined in data file)
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2020-08-26 15:04:30 +02:00 |
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69206390c4
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Merge branch 'master' into QUEST5
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2020-08-26 13:58:34 +02:00 |
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72c81981e8
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Fix f of diazomethane 1 ^1B_1 (thanks Denis)
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2020-08-26 12:55:05 +02:00 |
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019e590c14
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Fix triazine data for QUEST#3 ADC
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2020-08-25 18:01:47 +02:00 |
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7a53a8a151
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Merge branch 'master' into ADC
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2020-08-25 17:51:08 +02:00 |
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67727dcab1
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Fix triazine data for QUEST#3 main paper
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2020-08-25 17:49:07 +02:00 |
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3749efcdb0
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Fix FCI2-SI example
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2020-08-25 17:09:10 +02:00 |
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