|
|
36d87644ca
|
Fix initial state for fluorescence
|
2020-06-27 14:56:46 +02:00 |
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|
|
5eb5a6880a
|
Add ADC data
|
2020-06-26 18:35:38 +02:00 |
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|
b1395cb112
|
Fix header title for QUEST#3-addon
|
2020-06-26 18:00:19 +02:00 |
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|
2bb908c042
|
Merge branch 'master' into specialTexCommandOption
|
2020-06-24 15:26:40 +02:00 |
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|
8bc9712110
|
Fix initial state Tetrazine
|
2020-06-24 15:25:19 +02:00 |
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|
b9400bae11
|
Carbon monoxide Denis fix
|
2020-06-24 15:17:18 +02:00 |
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9e387e0415
|
Merge branch 'master' into specialTexCommandOption
|
2020-06-20 13:38:36 +02:00 |
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|
0229201240
|
Simplify A_g A_u B_g and B_u
|
2020-06-20 13:37:53 +02:00 |
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|
|
316ff217c2
|
Fix ethylene and pyrazine
|
2020-06-20 13:33:39 +02:00 |
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|
|
acb110ba23
|
Fix benzene
|
2020-06-20 12:06:07 +02:00 |
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|
6b9f6488f9
|
Add QUEST#5 reference
|
2020-06-15 17:33:41 +02:00 |
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|
3ec9a2e6f4
|
Fix f value for dinitrogen
|
2020-06-15 17:00:23 +02:00 |
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|
9148783e13
|
Add graphical abstract support
|
2020-06-15 16:13:23 +02:00 |
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|
8820e46203
|
Delete unused sets
|
2020-06-15 11:14:26 +02:00 |
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|
d8e8c2a2b3
|
Rewrite home
|
2020-06-12 12:14:41 +02:00 |
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3093d9202e
|
Add montain image as bigimg
|
2020-06-10 18:29:44 +02:00 |
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|
f0673256b1
|
Add debug mode
|
2020-06-10 15:18:39 +02:00 |
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b78e64bb95
|
Merge branch 'master' into QUEST4
|
2020-06-08 16:22:54 +02:00 |
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|
3d26ffeba9
|
Fix initial state for hydrogen chloride
|
2020-06-05 16:12:09 +02:00 |
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|
ce39913769
|
Fix initial states
|
2020-06-05 16:09:47 +02:00 |
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497bffbad2
|
Improve multiplicity support and add suport for double
|
2020-06-01 14:06:42 +02:00 |
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8bcc80aa48
|
Merge branch 'master' into QUEST4
|
2020-05-27 17:31:26 +02:00 |
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0aa6067c64
|
Fix hydrogen chloride initial state
|
2020-05-27 17:31:06 +02:00 |
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48afa4a343
|
Fix cyanoacetylene
|
2020-05-27 17:24:44 +02:00 |
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58a455cd78
|
Fix Sigma initial states
|
2020-05-27 10:00:13 +02:00 |
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a080913d85
|
Using cache for downloaded files
|
2020-05-27 09:35:50 +02:00 |
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35fbb41638
|
Make the request one by one to avoid "net::ERR_INSUFFICIENT_RESOURCES" errors
|
2020-05-25 11:02:57 +02:00 |
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5eb77d162d
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Merge branch 'master' into QUEST4
|
2020-05-22 15:29:57 +02:00 |
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9b57d18319
|
Fix initial state
|
2020-05-22 15:27:35 +02:00 |
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500429914e
|
Support valdiation for form_dat
|
2020-05-19 10:30:28 +02:00 |
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b205e180f8
|
Add more jQuery
|
2020-05-19 10:17:55 +02:00 |
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5ceec2e6a5
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Add border and margin to facilitate the reading of forms
|
2020-05-18 10:58:02 +02:00 |
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91be4457e2
|
Replace by the correct DOI for QUEST#4
|
2020-05-13 16:25:11 +02:00 |
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22bf71504e
|
Delete the * symbol for PubliUI
|
2020-05-05 10:26:33 +02:00 |
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95752b93c7
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Merge branch 'QUEST4' into QUEST4-bad-DOI
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2020-05-04 14:25:04 +02:00 |
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5923781e6e
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Merge branch 'master' into QUEST4
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2020-05-04 14:24:34 +02:00 |
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974acae266
|
Use UTC for getIssuedDate(publi)
|
2020-05-04 14:11:36 +02:00 |
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6d38d7be1f
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Create pubUtils.getIssuedDate(publi) tool to get the date of a publication object
|
2020-05-04 13:57:20 +02:00 |
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68a732dd81
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Add missing space before year
|
2020-05-01 15:39:43 +02:00 |
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8a97821c8d
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Merge branch 'QUEST4' into QUEST4-bad-DOI
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2020-04-30 20:33:07 +02:00 |
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2f213fe691
|
Check if MathJax.typesetPromise exist before define it in the polyfill
|
2020-04-30 20:31:30 +02:00 |
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3864ab2776
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Add QUEST#4 data files
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2020-04-30 15:20:39 +02:00 |
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d8e4c209b3
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Add QUEST#4 with a DOI from a random publication because the QUEST#4 DOI is not currently available
|
2020-04-30 15:19:56 +02:00 |
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75c849cf98
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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
|
Add MathJaxUtils class
|
2020-04-23 17:12:33 +02:00 |
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b28a783e5d
|
Fix generated files for QUEST#2
|
2020-04-09 15:08:49 +02:00 |
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faef08c79f
|
Remove unnescesary files
|
2020-04-08 15:30:13 +02:00 |
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3d900e9fb3
|
Merge branch 'master' into QUEST2
|
2020-04-08 11:35:11 +02:00 |
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e2485a833f
|
Add %T1 filterParams
|
2020-04-08 11:34:52 +02:00 |
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d50b3b5eca
|
Add the best %T1 to TBE
|
2020-04-02 17:13:15 +02:00 |
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29f4936345
|
Fix symmetry for the second excitation of TBE CBS of benzene
|
2020-03-31 14:31:19 +02:00 |
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0dc9adaa76
|
Merge branch 'master' into QUEST2
|
2020-03-31 14:26:09 +02:00 |
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a5886352fe
|
Fix bug when excitation type is empty
|
2020-03-31 14:24:01 +02:00 |
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cbe41a3cbd
|
Merge branch 'master' into QUEST2
|
2020-03-30 16:37:34 +02:00 |
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53abf1f278
|
Remove isCorrectedTBE function
|
2020-03-30 16:36:42 +02:00 |
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6d117915f5
|
Remove T1>50 assetion for QUEST#2
|
2020-03-30 15:49:44 +02:00 |
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cb70bcdc6b
|
Add TBE
|
2020-03-28 16:13:00 +01:00 |
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5db9a8d640
|
Use "double" prefix to prevent same file names for datafiles
|
2020-03-28 13:23:46 +01:00 |
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14ed96134d
|
Fix symmetry alignment for QUEST#2
|
2020-03-27 14:44:57 +01:00 |
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1fe9da3287
|
Merge branch 'master' into QUEST2
|
2020-03-27 14:35:50 +01:00 |
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caf0ef124f
|
Fix first symmetry alignment
|
2020-03-27 14:35:01 +01:00 |
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789adff686
|
Fix carbon_dimer symmetry
|
2020-03-27 14:13:27 +01:00 |
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a4c146ba1d
|
Delete unnecessary files
|
2020-03-27 14:11:15 +01:00 |
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d2da9e987b
|
Fix carbon dimer symmetry
|
2020-03-27 11:46:56 +01:00 |
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76d4582c83
|
Fix doublon assertion
|
2020-03-26 17:58:27 +01:00 |
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f1f980be31
|
Merge branch 'master' into QUEST2
|
2020-03-26 17:54:07 +01:00 |
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79b66f33cd
|
Fix doublon assertion
|
2020-03-26 17:53:42 +01:00 |
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33cd88d8bb
|
Merge branch 'master' into QUEST2
|
2020-03-26 17:45:14 +01:00 |
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52f536a654
|
Fix RequestHeader
|
2020-03-26 17:44:44 +01:00 |
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9a0809606f
|
Add data from table 1
|
2020-03-26 16:30:20 +01:00 |
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b171001b38
|
Remove cache for text files
|
2020-03-20 11:10:56 +01:00 |
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b9919ef184
|
Change excitationTypes names
|
2020-03-20 11:09:48 +01:00 |
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110d8e9819
|
Add CBS to experimental
|
2020-03-20 10:32:24 +01:00 |
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24079012e8
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Delete active space data
|
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
|
Better design for publication page
|
2020-03-19 18:06:29 +01:00 |
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c78ec858fb
|
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
|
2020-03-19 16:26:51 +01:00 |
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655a30d78f
|
Add "The Quest for Highly Accurate Excitation Energies: A Computational Perspective review" to other publications
|
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
|
2020-03-18 14:54:37 +01:00 |
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b6d180c933
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Delete old file format
|
2020-03-18 14:27:47 +01:00 |
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cc9e167726
|
Fix formaldehyde STEOM bad method
|
2020-03-17 19:00:44 +01:00 |
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622a7dae6a
|
Fix T1 and oscilatorForces inversion
|
2020-03-17 14:00:31 +01:00 |
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97f25af23d
|
Add unsafe assertion
|
2020-03-17 13:48:42 +01:00 |
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66e47a46ee
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Fix FC
|
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)
|
2020-03-11 10:52:16 +01:00 |
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14446864b5
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Fix unsafe
|
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
|
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
|
2020-03-08 16:17:04 +01:00 |
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477be17a5a
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Fix empty files
|
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
|
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
|
Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
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e5c5f120e0
|
Fix doublon
|
2020-02-27 12:43:18 +01:00 |
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85d48a336e
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Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
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559c8d5eb7
|
Fix bug in nitrosomethane
|
2020-02-27 10:28:08 +01:00 |
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a986d9ae72
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Fix some files
|
2020-02-27 10:23:37 +01:00 |
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ad2238c664
|
Fix streptocyanine-C1
|
2020-02-26 16:23:59 +01:00 |
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e66c042d2a
|
Optional separator between method and basis in toString() method
|
2020-02-20 11:54:50 +01:00 |
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50c814b612
|
Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
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c9bea63f51
|
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
|
Fix state number
|
2020-02-17 12:42:25 +01:00 |
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64b78ec3bf
|
Add acetone exp missing file
|
2020-02-17 11:35:26 +01:00 |
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8065db3929
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
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a9902def31
|
Add last table
|
2020-02-17 11:34:21 +01:00 |
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051f014a3c
|
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
|
2020-02-17 11:34:20 +01:00 |
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e7847ae678
|
Add cyanoacetylene
|
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
|
Add pyrimidine
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2020-02-17 11:34:20 +01:00 |
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3d736c5352
|
Add pyridine
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2020-02-17 11:34:20 +01:00 |
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2d6f7603d0
|
Add pyridazine
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2020-02-17 11:34:20 +01:00 |
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c0f03027ff
|
Add tertrazine
|
2020-02-17 11:34:20 +01:00 |
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76ed53514e
|
Add pyrazine
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2020-02-17 11:34:20 +01:00 |
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65eb9e5eda
|
Add benzene
|
2020-02-17 11:34:20 +01:00 |
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bb140e80c4
|
Add thiophene
|
2020-02-17 11:34:20 +01:00 |
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16b28c4abb
|
Add imidazole
|
2020-02-17 11:34:20 +01:00 |
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596494dfa2
|
Add cyclopentadiene
|
2020-02-17 11:34:20 +01:00 |
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24a315c95d
|
Add pyrrole
|
2020-02-17 11:34:20 +01:00 |
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1a7bbb4a0a
|
Add furan
|
2020-02-17 11:34:20 +01:00 |
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c6752cc399
|
Add thiopropynal
|
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
|
Add propynal
|
2020-02-17 11:34:20 +01:00 |
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0dd4192e5e
|
Add isobutene
|
2020-02-17 11:34:20 +01:00 |
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5fbeceb3b2
|
Add cyanoformaldehyde
|
2020-02-17 11:34:20 +01:00 |
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d3097ba650
|
Add acetone
|
2020-02-17 11:34:20 +01:00 |
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3a30dff715
|
Add glyoxal
|
2020-02-17 11:34:20 +01:00 |
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85db06c9eb
|
Add butadiene
|
2020-02-17 11:34:20 +01:00 |
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dc8b8aa11d
|
Add acrolein
|
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
|
Add cyclopropenethione
|
2020-02-17 11:34:20 +01:00 |
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0df188795f
|
Add cyclopropenone
|
2020-02-17 11:34:20 +01:00 |
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f72d203ad0
|
Add diacetylene
|
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
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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
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2020-02-17 11:28:58 +01:00 |
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720948ecab
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Add triazine
|
2020-02-17 11:28:58 +01:00 |
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a28572d050
|
Pyrimidine
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2020-02-17 11:28:58 +01:00 |
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c7aac0a186
|
Remove data.tex file
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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
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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
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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 |
|
|
|
11d2354d74
|
Add propynal
|
2020-02-17 11:28:58 +01:00 |
|
|
|
28ecf30f80
|
Add isobutene
|
2020-02-17 11:28:57 +01:00 |
|
|
|
542e3de106
|
Add cyanoformaldehyde
|
2020-02-17 11:28:57 +01:00 |
|
|
|
f7680ae56a
|
Add acetone
|
2020-02-17 11:28:57 +01:00 |
|
|
|
f014a97046
|
Add glyoxal
|
2020-02-17 11:28:57 +01:00 |
|
|
|
c897c5e1ff
|
Butadiene
|
2020-02-17 11:28:57 +01:00 |
|
|
|
e47ac623d4
|
Add acrolein
|
2020-02-17 11:28:57 +01:00 |
|
|
|
3375225cdb
|
Add methylenecyclopropene
|
2020-02-17 11:28:57 +01:00 |
|
|
|
69a4e66dd2
|
Add cyclopropenethione
|
2020-02-17 11:28:57 +01:00 |
|
|
|
c1f44caa40
|
Add cyclopropenone
|
2020-02-17 11:28:57 +01:00 |
|
|
|
057ae066f7
|
Add diacetylene
|
2020-02-17 11:28:57 +01:00 |
|
|
|
b3e470bbd8
|
Fix aug
|
2020-02-17 11:28:57 +01:00 |
|
|
|
a21d98b0ea
|
Add data for cyanogen
|
2020-02-17 11:28:57 +01:00 |
|
|
|
e86f954830
|
Add data for cyanoacetylene for QUEST#3
|
2020-02-17 11:28:57 +01:00 |
|
|
|
1a398bbb50
|
Delete file on bad branch
|
2020-02-17 10:51:58 +01:00 |
|
|
|
0aa6f80735
|
Add missing informations
|
2020-02-17 10:12:42 +01:00 |
|
|
|
6d5c17b92b
|
Add water TBE/CBS
|
2020-02-17 10:09:55 +01:00 |
|
|
|
fe6cf76a69
|
Add streptocyanine-c1
|
2020-02-17 09:53:48 +01:00 |
|
|
|
92673ad0e0
|
Add emoji css class
|
2020-02-16 18:09:37 +01:00 |
|
|
|
d25239ba95
|
Add missing data due to subtablesindex bug
|
2020-02-16 17:57:44 +01:00 |
|
|
|
daa62495fa
|
Add geometry and DOI
|
2020-02-15 17:43:30 +01:00 |
|
|
|
cbb0a8e219
|
Add missing files of QUEST#1
|
2020-02-15 17:40:52 +01:00 |
|
|
|
42a9a35675
|
trigger("change") only at the end and if realy change to optimize performances
|
2020-02-15 11:24:24 +01:00 |
|
|
|
5fb1b4252c
|
Use JSYAML and apply changes
|
2020-02-15 11:19:36 +01:00 |
|
|
|
e7506344c4
|
Add yaml
|
2020-02-14 16:30:30 +01:00 |
|
|
|
e75a1de542
|
Delete usage of zpe folder
|
2020-02-10 16:29:19 +01:00 |
|
|
|
519b237d8d
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
|
|
|
9ee1565bde
|
Put creation of publication UI in createPubliUI
|
2020-02-08 14:48:40 +01:00 |
|
|
|
ac0c970962
|
Fix publications page
|
2020-02-07 10:16:39 +01:00 |
|
|
|
bb475a0ec3
|
Add reference for QUEST#3
|
2020-02-04 12:11:08 +01:00 |
|
|
|
8f61c51138
|
Delete value propeery of stringNumber
|
2020-02-04 09:34:27 +01:00 |
|
|
|
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 |
|
|
|
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 |
|
|
|
02dfbe9a9e
|
fix bug in floatUtils
|
2020-02-01 17:27:22 +01:00 |
|
|
|
554d3ee84c
|
Missing ! operator
|
2020-02-01 17:19:40 +01:00 |
|
|
|
89007ebdd6
|
Use the new floatUtils
|
2020-02-01 17:14:52 +01:00 |
|
|
|
b46acd130b
|
Combine checkFloat and StringFloat files to floatUtils.js
|
2020-02-01 17:13:33 +01:00 |
|
|
|
74509f97ee
|
Add stringFLoat class in js that help to keep significant figure
|
2020-02-01 16:58:43 +01:00 |
|
|
|
ea6c37d4f9
|
Add function to check if string can be converted float in JavaScript
|
2020-02-01 16:54:00 +01:00 |
|
|
|
6c5f082e3b
|
selectSelectAll is now a separate function
|
2020-01-29 17:41:38 +01:00 |
|
|
|
47487c4d61
|
Modernize option selection
|
2020-01-29 17:36:50 +01:00 |
|
|
|
69c4afa43c
|
Add enumUtils to handle enum getFlags(value) and All corectly
|
2020-01-29 17:20:35 +01:00 |
|
|
|
bc297ae40d
|
trigger("change") for selectSelectAll
|
2020-01-29 17:20:35 +01:00 |
|
|
|
976a56adac
|
Use same class for Absorption and fluorescence files and improve select
|
2020-01-29 17:20:35 +01:00 |
|
|
|
7d5d38a1e9
|
Fallback when backdrop-filter or -webkit-backdrop-filter not exist like in FireFox
|
2020-01-29 17:20:35 +01:00 |
|
|
|
3d92e97ffb
|
Add comment for color-emoji
|
2020-01-29 17:20:35 +01:00 |
|
|
|
71ec661006
|
Center all numeric cell in table
|
2020-01-29 17:20:35 +01:00 |
|
|
|
809271da76
|
Fix carbon monoxide typo
|
2020-01-29 17:20:34 +01:00 |
|
|
|
feea071247
|
Fix excitations for carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
|
|
43024a98a3
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
|
|
ed38488c26
|
Fix excitation for nitrosomethane
|
2020-01-29 17:20:34 +01:00 |
|
|
|
d60a5fb2fc
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
|
|
fbbe3ac76b
|
Fix excitation for formamide
|
2020-01-29 17:20:34 +01:00 |
|
|
|
9a0eb03769
|
Fix excitation for formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
|
|
5c36e484e8
|
Set unsafe for the 2 first A' of formamide
|
2020-01-29 17:20:34 +01:00 |
|
|
|
11fdb62376
|
Set unsafe for n,n->π*,π*
|
2020-01-29 17:20:34 +01:00 |
|
|
|
71aa05ac2b
|
Fix excited state for ammonia
|
2020-01-29 17:20:34 +01:00 |
|
|
|
b875dae624
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
|
|
8cb95c952b
|
Copy excitationType from TBE
|
2020-01-29 17:20:34 +01:00 |
|
|
|
10a6482502
|
Fix parsing problem for single
|
2020-01-29 17:20:34 +01:00 |
|
|
|
88acab0c32
|
Fix transition for water
|
2020-01-29 17:20:34 +01:00 |
|
|
|
b9110a694c
|
Fix transition for thioformaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
|
|
97b575d1bb
|
Fix transition for formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
|
|
506d6db60e
|
Fix transition for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
|
|
ddf5d97e2c
|
Fix transition for ammonia
|
2020-01-29 17:20:34 +01:00 |
|
|
|
0131432b07
|
Use ∞ symbol instead of latex
|
2020-01-29 17:20:34 +01:00 |
|
|
|
bd6dd042bd
|
Fix isCorrected
|
2020-01-29 17:20:34 +01:00 |
|
|
|
8da9f6fff4
|
Update sets names
|
2020-01-29 17:20:34 +01:00 |
|
|
|
084fab59ff
|
Fix typo Singlet
|
2020-01-29 17:20:34 +01:00 |
|
|
|
3b2776041d
|
Delete not wanted file
|
2020-01-29 17:20:34 +01:00 |
|
