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93a2cffc5a
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Complete datafileBuilder.md docmentation file
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2020-02-25 15:38:26 +01:00 |
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f85e7d75c8
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Delete ZPE and twoStateDataFile
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2020-02-25 14:00:18 +01:00 |
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59fe15b56f
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Add documentation for datafileBuilder.md
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2020-02-24 15:03:59 +01:00 |
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8142ecc324
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Delete code dependency
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2020-02-24 11:07:19 +01:00 |
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3fd21f139a
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use rowgroup instead of group for excitation
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2020-02-20 15:46:22 +01:00 |
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0714161047
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Improve statistics table
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2020-02-20 14:57:04 +01:00 |
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c5208d13b5
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Better stat table
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2020-02-20 13:48:49 +01:00 |
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da0c2e2a5c
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use \n as method/basis separator in header
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2020-02-20 11:55:22 +01:00 |
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e66c042d2a
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Optional separator between method and basis in toString() method
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2020-02-20 11:54:50 +01:00 |
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433396a2b8
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Better head handling
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2020-02-20 11:45:04 +01:00 |
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d91cbf81f1
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Fix space missing
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2020-02-20 11:05:56 +01:00 |
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50c814b612
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Fix formaldehyde
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2020-02-20 11:03:14 +01:00 |
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acce4d8b1d
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Use ⌘ logo instead of CMD
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2020-02-20 09:59:26 +01:00 |
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aaee32b695
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Use rowspan for molecule
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2020-02-19 18:01:18 +01:00 |
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c9bea63f51
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Replace formaldehyde
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2020-02-19 17:14:27 +01:00 |
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65519a92b9
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Add example from FCI-SI
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2020-02-19 17:13:04 +01:00 |
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c657307b2a
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Add debug flag instead of DEBUG variable
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2020-02-19 11:47:58 +01:00 |
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cff3119df5
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Fix bug in data.py
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2020-02-17 15:18:08 +01:00 |
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5fd4ad54c5
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Use LaTeX standard for \prime
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2020-02-17 13:25:15 +01:00 |
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1c680f819c
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Fix state number
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2020-02-17 12:42:25 +01:00 |
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1a398bbb50
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Delete file on bad branch
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2020-02-17 10:51:58 +01:00 |
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0aa6f80735
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Add missing informations
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2020-02-17 10:12:42 +01:00 |
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6d5c17b92b
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Add water TBE/CBS
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2020-02-17 10:09:55 +01:00 |
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fe6cf76a69
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Add streptocyanine-c1
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2020-02-17 09:53:48 +01:00 |
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92673ad0e0
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Add emoji css class
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2020-02-16 18:09:37 +01:00 |
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d25239ba95
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Add missing data due to subtablesindex bug
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2020-02-16 17:57:44 +01:00 |
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7b2654811b
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getSubtableIndex is now a local function
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2020-02-16 17:57:44 +01:00 |
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aeae909a36
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Fix a subtablesindex bug that skip last molecule of COLUMN and TBE format
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2020-02-16 17:57:44 +01:00 |
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488a4a3fb6
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Fix bug when CopyExcitationsTypeFrom(TBE)
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2020-02-16 17:57:22 +01:00 |
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daa62495fa
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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cbb0a8e219
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Add missing files of QUEST#1
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2020-02-15 17:40:52 +01:00 |
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42a9a35675
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trigger("change") only at the end and if realy change to optimize performances
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2020-02-15 11:24:24 +01:00 |
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e75a1de542
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Delete usage of zpe folder
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2020-02-10 16:29:19 +01:00 |
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519b237d8d
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Fix experimental typo
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2020-02-10 12:01:31 +01:00 |
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9ee1565bde
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Put creation of publication UI in createPubliUI
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2020-02-08 14:48:40 +01:00 |
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1e6f71f58f
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Fix presentation when publication are not published in issue
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2020-02-07 10:32:45 +01:00 |
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ac0c970962
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Fix publications page
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2020-02-07 10:16:39 +01:00 |
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bb475a0ec3
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Add reference for QUEST#3
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2020-02-04 12:11:08 +01:00 |
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1dc1d9702f
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Change needbrowser
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2020-02-04 12:07:03 +01:00 |
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dfa4a16f35
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Improve emoji accessibility
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2020-02-04 10:48:11 +01:00 |
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f9bf435b80
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Fix ⚠ at left by using span instead of div
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2020-02-04 10:35:12 +01:00 |
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48574634cd
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Use non break hyphen in basis
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2020-02-04 10:29:01 +01:00 |
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73ccb822c6
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put browser at the top
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2020-02-04 10:05:16 +01:00 |
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af7771ba23
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Fix loading of numberUtils
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2020-02-04 09:44:48 +01:00 |
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8f61c51138
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Delete value propeery of stringNumber
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2020-02-04 09:34:27 +01:00 |
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3c2da95c84
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rename Float to Number in JavaScript
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2020-02-04 09:14:57 +01:00 |
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5392b9ee53
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Fix filenames in fluo
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2020-02-03 17:47:19 +01:00 |
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5e5d98fb8d
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Fix filenames for STEOM-CCSD
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2020-02-03 17:44:40 +01:00 |
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c878b587f2
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Fix filenames for CCSDR(3)
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2020-02-03 17:43:00 +01:00 |
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0e82af227e
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Fix CBS filenames
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2020-02-03 17:41:37 +01:00 |
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