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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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c3b19c8f7a
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Fix pubimport picture file extension
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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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8d6e67c69c
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Update known working versions
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2021-03-29 18:11:50 +02:00 |
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dfcc0e2d67
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Update the requirements.txt to take into account the incompatibility bugs with recent versions of TexSoup and NumPy
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2021-03-29 18:11:50 +02:00 |
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fd363c200a
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Change requirements to use >=
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2021-03-29 18:11:50 +02:00 |
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abb1c9ec46
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Add requirements.txt
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2021-03-29 18:11:50 +02:00 |
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da587e6168
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Fix metarecover
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2021-03-29 18:11:33 +02:00 |
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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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Anthony Scemama
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057146838f
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Fix broken link (#3)
Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
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2020-11-30 15:03:34 +01:00 |
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2b6099dff9
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Deploy
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2020-11-25 01:52:53 +01:00 |
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036df2f5a5
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README
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2020-11-24 19:21:06 +01:00 |
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8961e3e06a
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Accelerated load time
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2020-11-16 12:44:21 +01:00 |
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e772846992
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Replace metarecover bash script by a more flexible python version in order to use python for each tools
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2020-11-10 17:40:14 +01:00 |
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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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ed21b74fc8
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Use saved crossref data for publications
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2020-11-01 16:18:00 +01:00 |
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ad81e2bcbf
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Starting pubimport tool
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2020-10-30 18:34:18 +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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52374904c7
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Fix fluorescence bug in ADC25generator
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2020-09-23 16:22:40 +02:00 |
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81bb086861
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Mouve function at the top
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2020-09-23 15:25:26 +02:00 |
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becd35461f
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Remove unused class
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2020-09-23 15:24:03 +02:00 |
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6c37680315
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Fix errors for ADC25generator
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2020-09-23 15:21:49 +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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38507515e8
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Fix bug in ADC25generator
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2020-09-23 12:09:53 +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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e383ee97e2
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Add the posibility to add suffix for ADC25generator
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2020-09-21 09:42:16 +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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c89e865597
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Improvement in ADC25generator
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2020-09-15 12:51:47 +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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34b5a57f9e
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Add the ADC25generator python tool
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2020-09-14 11:29:13 +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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