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75c849cf98
|
Downgrade to MathJax 2.7 to fix the \ce problem and add MathJaxPolyfill.js to add the typesetPromise() function that is missing in the V2 API
|
2020-04-29 10:15:09 +02:00 |
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d0bcfcc203
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Revert "Add mathjax-config"
This reverts commit 736316e2e1.
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2020-04-24 09:33:12 +02:00 |
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736316e2e1
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Add mathjax-config
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2020-04-23 17:18:15 +02:00 |
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ac95dbb6e8
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Add MathJaxUtils class
|
2020-04-23 17:12:33 +02:00 |
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b28a783e5d
|
Fix generated files for QUEST#2
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2020-04-09 15:08:49 +02:00 |
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faef08c79f
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Remove unnescesary files
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2020-04-08 15:30:13 +02:00 |
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3d900e9fb3
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Merge branch 'master' into QUEST2
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2020-04-08 11:35:11 +02:00 |
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e2485a833f
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Add %T1 filterParams
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2020-04-08 11:34:52 +02:00 |
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d50b3b5eca
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Add the best %T1 to TBE
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2020-04-02 17:13:15 +02:00 |
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29f4936345
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Fix symmetry for the second excitation of TBE CBS of benzene
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2020-03-31 14:31:19 +02:00 |
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0dc9adaa76
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Merge branch 'master' into QUEST2
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2020-03-31 14:26:09 +02:00 |
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a5886352fe
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Fix bug when excitation type is empty
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2020-03-31 14:24:01 +02:00 |
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cbe41a3cbd
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Merge branch 'master' into QUEST2
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2020-03-30 16:37:34 +02:00 |
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53abf1f278
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Remove isCorrectedTBE function
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2020-03-30 16:36:42 +02:00 |
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6d117915f5
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Remove T1>50 assetion for QUEST#2
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2020-03-30 15:49:44 +02:00 |
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cb70bcdc6b
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Add TBE
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2020-03-28 16:13:00 +01:00 |
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5db9a8d640
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Use "double" prefix to prevent same file names for datafiles
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2020-03-28 13:23:46 +01:00 |
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14ed96134d
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Fix symmetry alignment for QUEST#2
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2020-03-27 14:44:57 +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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789adff686
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Fix carbon_dimer symmetry
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2020-03-27 14:13:27 +01:00 |
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a4c146ba1d
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Delete unnecessary files
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2020-03-27 14:11:15 +01:00 |
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d2da9e987b
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Fix carbon dimer symmetry
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2020-03-27 11:46:56 +01:00 |
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76d4582c83
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Fix doublon assertion
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2020-03-26 17:58:27 +01:00 |
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f1f980be31
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Merge branch 'master' into QUEST2
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2020-03-26 17:54:07 +01:00 |
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79b66f33cd
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Fix doublon assertion
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2020-03-26 17:53:42 +01:00 |
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33cd88d8bb
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Merge branch 'master' into QUEST2
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2020-03-26 17:45:14 +01:00 |
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52f536a654
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Fix RequestHeader
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2020-03-26 17:44:44 +01:00 |
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9a0809606f
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Add data from table 1
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2020-03-26 16:30:20 +01:00 |
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b171001b38
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Remove cache for text files
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2020-03-20 11:10:56 +01:00 |
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b9919ef184
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Change excitationTypes names
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2020-03-20 11:09:48 +01:00 |
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110d8e9819
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Add CBS to experimental
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2020-03-20 10:32:24 +01:00 |
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24079012e8
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Delete active space data
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2020-03-20 10:28:33 +01:00 |
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c771568bb5
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-19 18:07:02 +01:00 |
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9bce112b27
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Better design for publication page
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2020-03-19 18:06:29 +01:00 |
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c78ec858fb
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-19 16:27:17 +01:00 |
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9d3c413239
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Fix double are unsafe
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2020-03-19 16:26:51 +01:00 |
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655a30d78f
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Add "The Quest for Highly Accurate Excitation Energies: A Computational Perspective review" to other publications
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2020-03-18 15:34:59 +01:00 |
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78aea33f81
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Merge branch 'QUEST#1' into QUEST#3
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2020-03-18 15:02:20 +01:00 |
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ac60bbb978
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Merge branch 'publis.yaml' into TBE
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2020-03-18 14:54:37 +01:00 |
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b6d180c933
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Delete old file format
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2020-03-18 14:27:47 +01:00 |
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cc9e167726
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Fix formaldehyde STEOM bad method
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2020-03-17 19:00:44 +01:00 |
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622a7dae6a
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Fix T1 and oscilatorForces inversion
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2020-03-17 14:00:31 +01:00 |
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97f25af23d
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Add unsafe assertion
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2020-03-17 13:48:42 +01:00 |
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66e47a46ee
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Fix FC
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2020-03-15 17:49:22 +01:00 |
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df21468622
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Add assertions
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2020-03-14 17:29:47 +01:00 |
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91781b1c1d
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Fix number for nitrosomethane CC3 6-31+G(d)
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2020-03-11 10:52:16 +01:00 |
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14446864b5
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Fix unsafe
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2020-03-11 10:34:19 +01:00 |
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fc44b1e391
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Fix QUEST#1
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2020-03-10 19:34:50 +01:00 |
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fcf71efa1e
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Regenerate QUEST#1
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2020-03-10 18:31:13 +01:00 |
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fdc573d9cf
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Merge branch 'TBE' into QUEST#3
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2020-03-08 16:17:29 +01:00 |
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828fa5cf6c
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Add description class and simplify lables
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2020-03-08 16:17:04 +01:00 |
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477be17a5a
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Fix empty files
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2020-03-07 13:12:54 +01:00 |
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8cd5a984c4
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Fix QUEST#3
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2020-03-07 12:45:37 +01:00 |
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f30d271ae7
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Regenerate QUEST#3
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2020-03-05 14:53:51 +01:00 |
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ff248558fb
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Fix \prime
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2020-02-28 18:25:51 +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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e10ade912a
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fix file name for streptocyanine-C1
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2020-02-28 16:04:44 +01:00 |
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0d2cf406e1
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Fix doublon
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2020-02-27 15:14:42 +01:00 |
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2f3fd46f46
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Fix carbon monxide data
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2020-02-27 13:11:58 +01:00 |
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e5c5f120e0
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Fix doublon
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2020-02-27 12:43:18 +01:00 |
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85d48a336e
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Fix infinity doublon
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2020-02-27 12:11:00 +01:00 |
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559c8d5eb7
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Fix bug in nitrosomethane
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2020-02-27 10:28:08 +01:00 |
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a986d9ae72
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Fix some files
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2020-02-27 10:23:37 +01:00 |
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ad2238c664
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Fix streptocyanine-C1
|
2020-02-26 16:23:59 +01:00 |
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e66c042d2a
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Optional separator between method and basis in toString() method
|
2020-02-20 11:54:50 +01:00 |
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50c814b612
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Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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c9bea63f51
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Replace formaldehyde
|
2020-02-19 17:14:27 +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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64b78ec3bf
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Add acetone exp missing file
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2020-02-17 11:35:26 +01:00 |
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8065db3929
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Add missing data for new files
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2020-02-17 11:34:21 +01:00 |
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a9902def31
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Add last table
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2020-02-17 11:34:21 +01:00 |
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051f014a3c
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Add diacetylene
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2020-02-17 11:34:20 +01:00 |
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42d024d0e3
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Add cyanogen
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2020-02-17 11:34:20 +01:00 |
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e7847ae678
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Add cyanoacetylene
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2020-02-17 11:34:20 +01:00 |
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718ac47690
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Add triazine
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2020-02-17 11:34:20 +01:00 |
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066eb34e1e
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Add pyrimidine
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2020-02-17 11:34:20 +01:00 |
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3d736c5352
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Add pyridine
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2020-02-17 11:34:20 +01:00 |
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2d6f7603d0
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Add pyridazine
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2020-02-17 11:34:20 +01:00 |
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c0f03027ff
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Add tertrazine
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2020-02-17 11:34:20 +01:00 |
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76ed53514e
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Add pyrazine
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2020-02-17 11:34:20 +01:00 |
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65eb9e5eda
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Add benzene
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2020-02-17 11:34:20 +01:00 |
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bb140e80c4
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Add thiophene
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2020-02-17 11:34:20 +01:00 |
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16b28c4abb
|
Add imidazole
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2020-02-17 11:34:20 +01:00 |
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596494dfa2
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Add cyclopentadiene
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2020-02-17 11:34:20 +01:00 |
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24a315c95d
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Add pyrrole
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2020-02-17 11:34:20 +01:00 |
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1a7bbb4a0a
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Add furan
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2020-02-17 11:34:20 +01:00 |
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c6752cc399
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Add thiopropynal
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2020-02-17 11:34:20 +01:00 |
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3e9b1f2409
|
Add thioacetone
|
2020-02-17 11:34:20 +01:00 |
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3ace3f5b57
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Add propynal
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2020-02-17 11:34:20 +01:00 |
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0dd4192e5e
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Add isobutene
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2020-02-17 11:34:20 +01:00 |
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5fbeceb3b2
|
Add cyanoformaldehyde
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2020-02-17 11:34:20 +01:00 |
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d3097ba650
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Add acetone
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2020-02-17 11:34:20 +01:00 |
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3a30dff715
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Add glyoxal
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2020-02-17 11:34:20 +01:00 |
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85db06c9eb
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Add butadiene
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2020-02-17 11:34:20 +01:00 |
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dc8b8aa11d
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Add acrolein
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2020-02-17 11:34:20 +01:00 |
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a879e34ad9
|
Add methylenecyclopropene
|
2020-02-17 11:34:20 +01:00 |
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88c248a9b1
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Add cyclopropenethione
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2020-02-17 11:34:20 +01:00 |
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0df188795f
|
Add cyclopropenone
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2020-02-17 11:34:20 +01:00 |
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f72d203ad0
|
Add diacetylene
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2020-02-17 11:34:20 +01:00 |
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5624a86b94
|
Add cyanogen
|
2020-02-17 11:34:20 +01:00 |
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84f8aa7797
|
Add cyanoacetylene
|
2020-02-17 11:34:20 +01:00 |
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3392541191
|
Fix diacetylene
|
2020-02-17 11:34:19 +01:00 |
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ea1a3306ee
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
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d1d3661d48
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
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84d4baa59b
|
Continue to fix experimental
|
2020-02-17 11:31:07 +01:00 |
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85dac2e65e
|
Fix TBE
|
2020-02-17 11:31:07 +01:00 |
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fb4d176a99
|
Delete other Litt
|
2020-02-17 11:28:58 +01:00 |
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cd67226101
|
Fix experimental
|
2020-02-17 11:28:58 +01:00 |
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b5fac54f04
|
Add TBE
|
2020-02-17 11:28:58 +01:00 |
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024b89a49c
|
Add DOI
|
2020-02-17 11:28:58 +01:00 |
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720948ecab
|
Add triazine
|
2020-02-17 11:28:58 +01:00 |
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a28572d050
|
Pyrimidine
|
2020-02-17 11:28:58 +01:00 |
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c7aac0a186
|
Remove data.tex file
|
2020-02-17 11:28:58 +01:00 |
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96428182c3
|
Add pyridine
|
2020-02-17 11:28:58 +01:00 |
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4337428fe4
|
Add pyridazine
|
2020-02-17 11:28:58 +01:00 |
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c61f6cd36c
|
Add tetrazine
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2020-02-17 11:28:58 +01:00 |
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24940ab48d
|
Add pyrazine
|
2020-02-17 11:28:58 +01:00 |
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857221f092
|
Add benzene
|
2020-02-17 11:28:58 +01:00 |
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00ee3f188b
|
Add thiophene
|
2020-02-17 11:28:58 +01:00 |
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2270f28a7f
|
Add imidazole
|
2020-02-17 11:28:58 +01:00 |
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aba42a9751
|
Add cyclopentadiene
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2020-02-17 11:28:58 +01:00 |
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3fb8361014
|
Add pyrrole
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2020-02-17 11:28:58 +01:00 |
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7dee833add
|
Add furan
|
2020-02-17 11:28:58 +01:00 |
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07c8e3a0ab
|
Add thiopropynal
|
2020-02-17 11:28:58 +01:00 |
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11d2354d74
|
Add propynal
|
2020-02-17 11:28:58 +01:00 |
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28ecf30f80
|
Add isobutene
|
2020-02-17 11:28:57 +01:00 |
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542e3de106
|
Add cyanoformaldehyde
|
2020-02-17 11:28:57 +01:00 |
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f7680ae56a
|
Add acetone
|
2020-02-17 11:28:57 +01:00 |
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f014a97046
|
Add glyoxal
|
2020-02-17 11:28:57 +01:00 |
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c897c5e1ff
|
Butadiene
|
2020-02-17 11:28:57 +01:00 |
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e47ac623d4
|
Add acrolein
|
2020-02-17 11:28:57 +01:00 |
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3375225cdb
|
Add methylenecyclopropene
|
2020-02-17 11:28:57 +01:00 |
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69a4e66dd2
|
Add cyclopropenethione
|
2020-02-17 11:28:57 +01:00 |
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c1f44caa40
|
Add cyclopropenone
|
2020-02-17 11:28:57 +01:00 |
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057ae066f7
|
Add diacetylene
|
2020-02-17 11:28:57 +01:00 |
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|
b3e470bbd8
|
Fix aug
|
2020-02-17 11:28:57 +01:00 |
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|
a21d98b0ea
|
Add data for cyanogen
|
2020-02-17 11:28:57 +01:00 |
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|
e86f954830
|
Add data for cyanoacetylene for QUEST#3
|
2020-02-17 11:28:57 +01:00 |
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|
1a398bbb50
|
Delete file on bad branch
|
2020-02-17 10:51:58 +01:00 |
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|
0aa6f80735
|
Add missing informations
|
2020-02-17 10:12:42 +01:00 |
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|
6d5c17b92b
|
Add water TBE/CBS
|
2020-02-17 10:09:55 +01:00 |
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|
fe6cf76a69
|
Add streptocyanine-c1
|
2020-02-17 09:53:48 +01:00 |
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92673ad0e0
|
Add emoji css class
|
2020-02-16 18:09:37 +01:00 |
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d25239ba95
|
Add missing data due to subtablesindex bug
|
2020-02-16 17:57:44 +01:00 |
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|
daa62495fa
|
Add geometry and DOI
|
2020-02-15 17:43:30 +01:00 |
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|
cbb0a8e219
|
Add missing files of QUEST#1
|
2020-02-15 17:40:52 +01:00 |
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|
42a9a35675
|
trigger("change") only at the end and if realy change to optimize performances
|
2020-02-15 11:24:24 +01:00 |
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|
5fb1b4252c
|
Use JSYAML and apply changes
|
2020-02-15 11:19:36 +01:00 |
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|
e7506344c4
|
Add yaml
|
2020-02-14 16:30:30 +01:00 |
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e75a1de542
|
Delete usage of zpe folder
|
2020-02-10 16:29:19 +01:00 |
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|
519b237d8d
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
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|
9ee1565bde
|
Put creation of publication UI in createPubliUI
|
2020-02-08 14:48:40 +01:00 |
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|
ac0c970962
|
Fix publications page
|
2020-02-07 10:16:39 +01:00 |
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|
bb475a0ec3
|
Add reference for QUEST#3
|
2020-02-04 12:11:08 +01:00 |
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|
8f61c51138
|
Delete value propeery of stringNumber
|
2020-02-04 09:34:27 +01:00 |
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|
3c2da95c84
|
rename Float to Number in JavaScript
|
2020-02-04 09:14:57 +01:00 |
|
|
|
5392b9ee53
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
|
|
5e5d98fb8d
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
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|
c878b587f2
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
|
|
0e82af227e
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
|
|
|
e759d88c77
|
Fix CBS
|
2020-02-03 15:51:17 +01:00 |
|
|
|
f86ca7a42a
|
Fix methods names
|
2020-02-03 15:07:32 +01:00 |
|
|
|
0986785a0f
|
Adjust sticky table head relative to navigation bar
|
2020-02-03 14:26:11 +01:00 |
|
|
|
3cc3911821
|
Sticky head for table
|
2020-02-03 13:27:32 +01:00 |
|
|
|
f66426453f
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
|
|
01830ae23d
|
Use Number.IsNaN instead of isNaN
|
2020-02-02 15:35:21 +01:00 |
|
|
|
873d88763f
|
Fix bug in data
|
2020-02-01 17:50:45 +01:00 |
|
|
|
8d47040564
|
Add optional printNaN to stringFloat
|
2020-02-01 17:32:06 +01:00 |
|
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02dfbe9a9e
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fix bug in floatUtils
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2020-02-01 17:27:22 +01:00 |
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554d3ee84c
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Missing ! operator
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2020-02-01 17:19:40 +01:00 |
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89007ebdd6
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Use the new floatUtils
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2020-02-01 17:14:52 +01:00 |
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b46acd130b
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Combine checkFloat and StringFloat files to floatUtils.js
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2020-02-01 17:13:33 +01:00 |
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74509f97ee
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Add stringFLoat class in js that help to keep significant figure
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2020-02-01 16:58:43 +01:00 |
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ea6c37d4f9
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Add function to check if string can be converted float in JavaScript
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2020-02-01 16:54:00 +01:00 |
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6c5f082e3b
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selectSelectAll is now a separate function
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2020-01-29 17:41:38 +01:00 |
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47487c4d61
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Modernize option selection
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2020-01-29 17:36:50 +01:00 |
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69c4afa43c
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Add enumUtils to handle enum getFlags(value) and All corectly
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2020-01-29 17:20:35 +01:00 |
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bc297ae40d
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trigger("change") for selectSelectAll
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2020-01-29 17:20:35 +01:00 |
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976a56adac
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Use same class for Absorption and fluorescence files and improve select
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2020-01-29 17:20:35 +01:00 |
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7d5d38a1e9
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Fallback when backdrop-filter or -webkit-backdrop-filter not exist like in FireFox
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2020-01-29 17:20:35 +01:00 |
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3d92e97ffb
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Add comment for color-emoji
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2020-01-29 17:20:35 +01:00 |
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71ec661006
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Center all numeric cell in table
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2020-01-29 17:20:35 +01:00 |
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809271da76
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Fix carbon monoxide typo
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2020-01-29 17:20:34 +01:00 |
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feea071247
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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43024a98a3
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Fix excitations for diazomethane
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2020-01-29 17:20:34 +01:00 |
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ed38488c26
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Fix excitation for nitrosomethane
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2020-01-29 17:20:34 +01:00 |
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d60a5fb2fc
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Fix excitation for ketene
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2020-01-29 17:20:34 +01:00 |
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fbbe3ac76b
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Fix excitation for formamide
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2020-01-29 17:20:34 +01:00 |
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9a0eb03769
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Fix excitation for formaldehyde
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2020-01-29 17:20:34 +01:00 |
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5c36e484e8
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Set unsafe for the 2 first A' of formamide
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2020-01-29 17:20:34 +01:00 |
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11fdb62376
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Set unsafe for n,n->π*,π*
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2020-01-29 17:20:34 +01:00 |
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71aa05ac2b
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Fix excited state for ammonia
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2020-01-29 17:20:34 +01:00 |
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b875dae624
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Fix missing code
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2020-01-29 17:20:34 +01:00 |
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8cb95c952b
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Copy excitationType from TBE
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2020-01-29 17:20:34 +01:00 |
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10a6482502
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Fix parsing problem for single
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2020-01-29 17:20:34 +01:00 |
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88acab0c32
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Fix transition for water
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2020-01-29 17:20:34 +01:00 |
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b9110a694c
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Fix transition for thioformaldehyde
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2020-01-29 17:20:34 +01:00 |
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97b575d1bb
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Fix transition for formaldehyde
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2020-01-29 17:20:34 +01:00 |
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