4baaaa0fc2
Allow to export geometries ( #6 )
...
* Fix broken link
* Fix bug in indexDB
* Fix sourceFile for each geometry
* Add function to export geometry as xyz
* Fix bug when printing z
* Fix align with website structures
* Add Export geometries fonctionality
* Better class name for select buttons
* Fix after =
* Enable export button only when it makes sense
Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:15:26 +01:00
563726c954
Proposition of a new references page ( #5 )
...
* Fix broken link
* Fix bug in indexDB
* Proposition of a new references page
Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:11:09 +01:00
c0cc26d1f5
Fix null instead of undefined in indexDB ( #4 )
...
* Fix broken link
* Fix bug in indexDB
* Fix sourceFile for each geometry
Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 11:07:16 +01:00
721d95b4d0
Fix uniq function
2020-12-01 23:52:53 +01:00
c085809936
check if url is in cache
2020-11-30 00:17:08 +01:00
1b0f196a6f
update QUEST5 and molecule image ( #1 )
2020-11-27 10:34:34 +01:00
e03fb28a47
Cleaning
2020-11-26 00:29:06 +01:00
616e23fc62
Fix URL
2020-11-25 01:59:56 +01:00
2b6099dff9
Deploy
2020-11-25 01:52:53 +01:00
66636ad021
Issue tracker
2020-11-24 18:59:01 +01:00
feaee8acd1
Fast loading time
2020-11-20 00:23:28 +01:00
62b92912b6
Fast load time
2020-11-19 23:56:04 +01:00
768420b677
Acceleration
2020-11-19 23:18:52 +01:00
5d637180c7
Faster uniq function
2020-11-19 23:12:14 +01:00
a77774882e
Simplified code
2020-11-16 12:56:16 +01:00
8961e3e06a
Accelerated load time
2020-11-16 12:44:21 +01:00
f7c410a5f4
Fix CCSDT-3 and EOM-MP2 for QUEST#5
2020-11-09 16:40:05 +01:00
31ca4517ba
Fix excitation type
2020-11-09 16:04:25 +01:00
bb0aa13dbf
Fix data for new methods
2020-11-09 10:53:26 +01:00
1f62b3f740
Update and fix QUEST#5 data
2020-11-04 15:42:53 +01:00
d10b6d3b05
Fix %T_1 missing on TBE for octatetraene
2020-11-03 16:36:32 +01:00
b535c5dca6
Fix problem with xyz geometry with the line containing the number of atoms have right extra space are not readed correctly
2020-11-02 15:19:10 +01:00
6eb8717f55
Save indexDB to window.indexDB automaticaly to avoid re-created it
2020-11-01 16:57:16 +01:00
de8648e5f1
Add header option and better use of max-age
2020-11-01 16:54:57 +01:00
ed21b74fc8
Use saved crossref data for publications
2020-11-01 16:18:00 +01:00
4c2c916b50
Fix syntax error
2020-10-28 10:35:32 +01:00
315d6672d7
Merge branch 'newDataOldQuest'
2020-10-27 17:26:52 +01:00
0bc6cd46b3
Merge branch 'newDataOldQuest' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into newDataOldQuest
2020-10-27 17:26:32 +01:00
2c3a93ac29
Add missing geometry metadata
2020-10-27 17:26:26 +01:00
9687a69941
Fix alignment in pyrimidine.xyz
2020-10-27 17:14:16 +01:00
64ed732cae
Merge branch 'master' into newDataOldQuest
2020-10-27 17:08:45 +01:00
e0a4d09cea
Fix ,, in xyz
2020-10-27 17:08:25 +01:00
77c8ecf5b1
Merge branch 'master' into newDataOldQuest
2020-10-27 16:49:24 +01:00
6f2e635e26
Fix hexatriene geom
2020-10-27 16:48:46 +01:00
4ab3c1178b
Merge branch 'master' into newDataOldQuest
2020-10-27 15:15:50 +01:00
e70e6c2bef
Remove ADC data already provided by the ADC paper
2020-10-27 15:15:36 +01:00
221c4bf70e
Add geometry and xyz for octatetraene
2020-10-27 09:18:43 +01:00
564fec1398
Fix initial state for octatetraene
2020-10-27 09:06:04 +01:00
6647785d34
Denis new data
2020-10-24 17:29:27 +02:00
f6b222dd98
Fix non-d are Single
2020-10-21 14:18:21 +02:00
2aebccc215
New \sigma \rightarrow \pi^\star fix
2020-10-20 17:40:41 +02:00
a32c93f39d
Denis fix
2020-10-19 18:52:09 +02:00
eb51524b91
Fix transition types
2020-10-16 17:34:32 +02:00
2885596bfa
Merge branch 'master' into newDataOldQuest
2020-10-13 17:31:09 +02:00
6c1579cde0
Fix spaces in \ce{HCP}
2020-10-13 17:26:32 +02:00
ef91c49929
Merge branch 'master' into newDataOldQuest
2020-10-13 11:26:52 +02:00
ffa5bf89c3
Improve assert readability
2020-10-13 11:26:03 +02:00
8db4922cde
Fix Oscillator strength for QUEST#5 paper addon
2020-10-12 17:22:27 +02:00
48078b6637
Merge branch 'master' into newDataOldQuest
2020-10-12 16:51:52 +02:00
0ff21cc962
Fix EnumUltils.GetFlags
2020-10-12 16:49:35 +02:00
