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e0e3bb1597
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Support LaTex in molecule name
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2021-11-12 18:13:52 +01:00 |
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dd43e12626
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isSameArticle fix
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2021-03-29 18:11:33 +02:00 |
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56b4ff0435
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fileName check in toFile method
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2021-03-29 18:11:33 +02:00 |
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a973526f20
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Fix Oscillator strength typo
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2020-10-08 18:36:03 +02:00 |
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5aa52dfb9f
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Fix typo for symmetry
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2020-09-30 14:18:34 +02:00 |
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f2c01a1b85
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Fix set parser for python
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2020-09-23 15:21:23 +02:00 |
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024b284386
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Fix bugs in data python library
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2020-09-23 12:08:02 +02:00 |
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94d2b650d4
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Fix bug in convertState
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2020-09-22 11:54:12 +02:00 |
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07a389de77
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Oscilator forces becomes Oscilator strenght
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2020-09-22 10:05:05 +02:00 |
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dbd8facf06
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Change sets handling
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2020-09-20 17:54:16 +02:00 |
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abaee88903
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Fix code.fromString must retrun a code not a method
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2020-09-15 15:31:17 +02:00 |
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b250227f47
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Use os.makedirs instead of mkdir
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2020-09-15 12:51:07 +02:00 |
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0cbee99f78
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Add the ability to read a data file from the python library
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2020-09-11 17:26:49 +02:00 |
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169f385c42
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Remove unused variable
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2020-09-11 10:57:05 +02:00 |
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415a5fca9f
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Fix DOI metadata no longer exists.
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2020-09-10 15:08:41 +02:00 |
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5c1e1b501d
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Support the new article metadata in datafileBuilder
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2020-09-10 09:36:07 +02:00 |
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b114b27911
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Underscores replace spaces for each part of the data files name
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2020-08-13 10:57:46 +02:00 |
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52d334e367
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Fix isUnsafe
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2020-08-06 18:24:42 +02:00 |
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bdd0982b92
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Add extractMath function
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2020-08-02 16:26:14 +02:00 |
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cd6723fc8c
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Fix getSubtablesRange name
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2020-07-08 13:31:00 +02:00 |
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76559d21db
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Change getSubtableIndex to getSubtableRange
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2020-07-08 13:21:40 +02:00 |
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1593614d5f
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fix missing parenthesis
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2020-07-06 10:28:59 +02:00 |
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d1e1b10285
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Change format handling
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2020-07-03 14:51:40 +02:00 |
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c2ec537ab7
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LaTeX options are now object oriented
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2020-06-26 14:36:35 +02:00 |
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6f15d73054
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replace firstState by initialState
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2020-06-25 16:46:33 +02:00 |
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e5a789ba93
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Add firstStates parameter
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2020-06-20 18:30:18 +02:00 |
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11ba719417
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Fix lowercase on DataType name
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2020-06-18 12:27:24 +02:00 |
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17bbe7b953
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Fix prefix instead of suffix
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2020-06-17 13:19:44 +02:00 |
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7196d37f72
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Merge branch 'master' into QUEST4
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2020-04-30 18:22:18 +02:00 |
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1be87533ba
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Use json.dumps instead of str().lower to write boolean
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2020-04-30 16:06:46 +02:00 |
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440787408b
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Fix datafileBuilder for QUEST#4
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2020-04-24 10:14:19 +02:00 |
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4f7d89201f
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Add support of the EXOTICCOLUMN format in datafileBuilder
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2020-04-22 17:08:45 +02:00 |
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617e50dc03
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Remove kwargs to use explicit optional arguments
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2020-04-22 16:50:04 +02:00 |
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4a1ff51f70
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Fix python for DOUBLECOLUMN format
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2020-04-09 15:06:56 +02:00 |
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451ddc0121
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Add DOUBLETBE format
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2020-03-28 16:07:53 +01:00 |
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f1f51a7c62
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Add prefix support
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2020-03-28 13:21:47 +01:00 |
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dafaf023f7
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Merge branch 'master' into QUEST2
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2020-03-28 13:02:16 +01:00 |
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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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1fe9da3287
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Merge branch 'master' into QUEST2
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2020-03-27 14:35:50 +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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782677f88b
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Fix DOUBLECOLUMN format
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2020-03-26 16:29:30 +01:00 |
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7fb707ec85
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Add optionals arguments to getSubtableIndex
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2020-03-21 16:31:50 +01:00 |
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3402445caa
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Starting to fix python code for QUEST#2
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2020-03-21 16:13:31 +01:00 |
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b75c6a700c
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Merge branch 'QUEST#3' into QUEST#2
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2020-03-08 16:18:34 +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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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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b663aa9a3b
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Fix typo
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2020-02-28 10:00:42 +01:00 |
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