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9710ff4e30
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implement __eq__, __str__, __repr__ and __hash__ for Python data classes when it's possible
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2022-02-04 13:58:03 +01:00 |
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d08fb1da6e
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Dynamically import format handlers
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2022-02-04 13:52:08 +01:00 |
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1bfc45de52
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cmd should not be removed from collection
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2022-01-19 14:48:23 +01:00 |
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28181e6925
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Use PageRange package to interprete the \excludecolumns command in the input file (allow printer range syntax)
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2022-01-18 15:32:11 +01:00 |
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331bf4280e
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Add data from QUEST#6 main paper
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2021-12-06 09:32:00 +01:00 |
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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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d13096959c
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Add many options to datafilebuilder input to exclude columns, set defaultBasis (for formats that need it) or add metadata like geometry or set
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2021-11-12 18:13:52 +01:00 |
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7fe13a7600
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Update the fromXLSToLaTeX format to correctly handle double
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2021-11-03 13:29:12 +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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d46e0af490
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Add CT and n.d support
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2021-03-29 18:11:33 +02:00 |
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a42b85d6fa
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Add missing acronym CT
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2020-11-09 10:12:28 +01:00 |
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aaff681f2d
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Fix missing acronyms
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2020-11-04 15:31:54 +01:00 |
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a130be8fd6
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Use dictionary for GetTypeFromAcronym
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2020-11-04 14:18:12 +01:00 |
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114a62bb11
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Fix unrecognized acronym error sentence
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2020-11-04 13:11:05 +01:00 |
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71c7b90df7
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Fix GetTypeFromAcronym bug that set \pi \rightarrow 3p for spi, non-d and unrecognized acronyms
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2020-11-04 13:09:30 +01:00 |
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466a4eb945
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Add spi (\sigma -> \pi^\star) support for xls format
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2020-10-19 18:53:39 +02:00 |
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13ea1361c2
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self.Command is now uppercase
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2020-10-08 18:41:13 +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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5a162ed07f
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Beter abstract class definition for formatHandlerBase
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2020-10-06 13:59:06 +02:00 |
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d685bee542
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Fix fluorescence support for fromXLSToLaTeX format
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2020-10-04 17:14:41 +02:00 |
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6871e0f2e5
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Deleting the commented code
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2020-10-04 16:25:10 +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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e261d38026
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Add basis to TBE
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2020-09-22 10:41:07 +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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3630dd8ec9
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Fix bug when %T1 or f exist and not energy value
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2020-09-10 16:06:34 +02:00 |
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6ef6480f7a
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Merge branch 'master' into QUEST5
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2020-09-10 15:09:15 +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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5383cb00cf
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Merge branch 'master' into QUEST5
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2020-09-10 09:40:57 +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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1dc9db7e4f
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Merge branch 'master' into QUEST5
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2020-08-13 10:59:34 +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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e16777a37b
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Merge branch 'master' into QUEST5
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2020-08-06 18:58:00 +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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e99a42ec67
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Merge branch 'master' into QUEST5
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2020-08-03 17:25:02 +02:00 |
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6ca8c57086
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Use the new extractMath function of bdd0982b92 for doubleColumn and doubleTBE handler
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2020-08-03 17:08:20 +02:00 |
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3f52913a19
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Fix exoticColumnHandler
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2020-08-03 16:25:10 +02:00 |
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6ab3aa9c99
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Fix doubleTBEHandler
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2020-08-03 16:01:34 +02:00 |
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23ef68b109
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Fix columnHandler
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2020-08-03 15:46:28 +02:00 |
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29b8c0c318
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Fix states with addition of $$
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2020-08-02 17:02:29 +02:00 |
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b2827e2353
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Merge branch 'master' into QUEST5
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2020-08-02 17:00:46 +02:00 |
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a9c090e24f
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Fix lineHandler
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2020-08-02 16:30:20 +02:00 |
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