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b16f494beb
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Typos in README
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2020-11-16 09:20:40 +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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f7c410a5f4
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Fix CCSDT-3 and EOM-MP2 for QUEST#5
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2020-11-09 16:40:05 +01:00 |
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31ca4517ba
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Fix excitation type
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2020-11-09 16:04:25 +01:00 |
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bb0aa13dbf
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Fix data for new methods
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2020-11-09 10:53:26 +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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1f62b3f740
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Update and fix QUEST#5 data
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2020-11-04 15:42:53 +01:00 |
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6c2725544f
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Update QUEST#5 LaTeX input
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2020-11-04 15:34:00 +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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d10b6d3b05
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Fix %T_1 missing on TBE for octatetraene
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2020-11-03 16:36:32 +01:00 |
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b535c5dca6
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Fix problem with xyz geometry with the line containing the number of atoms have right extra space are not readed correctly
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2020-11-02 15:19:10 +01:00 |
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b16bc38a72
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removes citation-js loading
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2020-11-02 10:30:08 +01:00 |
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6eb8717f55
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Save indexDB to window.indexDB automaticaly to avoid re-created it
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2020-11-01 16:57:16 +01:00 |
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de8648e5f1
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Add header option and better use of max-age
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2020-11-01 16:54:57 +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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f770dd0858
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Update README.md
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2020-10-29 20:40:14 +01:00 |
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564abfb6da
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Change repo url to use github
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2020-10-29 18:34:10 +01:00 |
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c00a2dcead
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Change relative links for github
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2020-10-29 18:31:27 +01:00 |
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2f66dffc09
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Change repo name
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2020-10-29 18:24:02 +01:00 |
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17667bfd65
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Remove uncomplete documentation
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2020-10-29 18:08:28 +01:00 |
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4c2c916b50
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Fix syntax error
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2020-10-28 10:35:32 +01:00 |
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315d6672d7
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Merge branch 'newDataOldQuest'
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2020-10-27 17:26:52 +01:00 |
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0bc6cd46b3
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Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
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2020-10-27 17:26:32 +01:00 |
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2c3a93ac29
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Add missing geometry metadata
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2020-10-27 17:26:26 +01:00 |
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9687a69941
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Fix alignment in pyrimidine.xyz
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2020-10-27 17:14:16 +01:00 |
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64ed732cae
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Merge branch 'master' into newDataOldQuest
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2020-10-27 17:08:45 +01:00 |
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e0a4d09cea
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Fix ,, in xyz
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2020-10-27 17:08:25 +01:00 |
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77c8ecf5b1
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Merge branch 'master' into newDataOldQuest
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2020-10-27 16:49:24 +01:00 |
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6f2e635e26
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Fix hexatriene geom
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2020-10-27 16:48:46 +01:00 |
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4ab3c1178b
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Merge branch 'master' into newDataOldQuest
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2020-10-27 15:15:50 +01:00 |
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e70e6c2bef
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Remove ADC data already provided by the ADC paper
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2020-10-27 15:15:36 +01:00 |
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221c4bf70e
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Add geometry and xyz for octatetraene
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2020-10-27 09:18:43 +01:00 |
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564fec1398
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Fix initial state for octatetraene
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2020-10-27 09:06:04 +01:00 |
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6647785d34
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Denis new data
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2020-10-24 17:29:27 +02:00 |
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f6b222dd98
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Fix non-d are Single
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2020-10-21 14:18:21 +02:00 |
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2aebccc215
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New \sigma \rightarrow \pi^\star fix
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2020-10-20 17:40:41 +02:00 |
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9d33bacaab
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Merge branch 'master' into newDataOldQuest
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2020-10-20 17:01:53 +02:00 |
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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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a32c93f39d
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Denis fix
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2020-10-19 18:52:09 +02:00 |
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eb51524b91
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Fix transition types
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2020-10-16 17:34:32 +02:00 |
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2885596bfa
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Merge branch 'master' into newDataOldQuest
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2020-10-13 17:31:09 +02:00 |
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6c1579cde0
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Fix spaces in \ce{HCP}
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2020-10-13 17:26:32 +02:00 |
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ef91c49929
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Merge branch 'master' into newDataOldQuest
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2020-10-13 11:26:52 +02:00 |
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ffa5bf89c3
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Improve assert readability
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2020-10-13 11:26:03 +02:00 |
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8db4922cde
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Fix Oscillator strength for QUEST#5 paper addon
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2020-10-12 17:22:27 +02:00 |
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48078b6637
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Merge branch 'master' into newDataOldQuest
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2020-10-12 16:51:52 +02:00 |
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