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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-27 06:43:47 +01:00
Commit Graph

635 Commits

Author SHA1 Message Date
2ae35850e1 Fix the inversion of 3 and 4 ^1A^\prime of formamide 2021-11-03 13:29:12 +01:00
baca7f5d96 Update data except QUEST#2 2021-11-03 13:29:12 +01:00
659bd97dd3 Support indexed date 2021-03-01 16:25:50 +01:00
04a0d193af Update metadata for QUEST#5 publication from crossref 2021-03-01 16:25:50 +01:00
0c30ae95d2 Remove unused code 2021-02-18 11:04:17 +01:00
ae89166163 Add QUEST#5 publication 2021-02-18 11:04:17 +01:00
14ae7312fc Improvements for publications 2021-02-18 11:04:17 +01:00
78fc5dd673
Fixes in the loading process (#14)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Use valueOf in ex.type

* Fix VertExcitationKind for custom files

* Fix excitationType bug when value is set to Single by default

* Remove the unnecessary valuOf()

* Copy type of excitation from the reference for custom files

* Remove sets dependency for %T1 to allow cross set %T1 reference data

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-11 10:44:35 +01:00
bebcfdd959
Fix null array in yaml (#13)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix null array in yaml

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 15:04:40 +01:00
7838048223
Better csv (#11)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix line break in methods for the csv

* Repeat the cell instead of putting a blank cell when the row/column span of the cell is larger than one

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 13:42:47 +01:00
24cc2153e0
Explicit others section in the yaml file (#12)
* Add the others section explicitly in the yaml file

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-08 13:40:41 +01:00
3297ff0762
Allow to export table to csv (#9)
* Fix broken link

* Fix bug in indexDB

* Fix sourceFile  for each geometry

* Fix tag stat_table

* First implementation of export table to csv

* Use custom data-csvtext propery to avoid warning emoji

Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
2020-12-07 16:46:13 +01:00
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