|
|
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 |
|
|
|
d6e25687a5
|
Fix excitationTypes enum shift
|
2020-10-12 16:45:26 +02:00 |
|
|
|
28cf428d01
|
Merge branch 'master' into newDataOldQuest
|
2020-10-12 10:36:36 +02:00 |
|
|
|
efb2f8dbe3
|
Fix \Sigma^+
|
2020-10-12 10:31:22 +02:00 |
|
|
|
83f8d98616
|
Merge branch 'master' into newDataOldQuest
|
2020-10-12 09:53:35 +02:00 |
|
|
|
7f5a84e19d
|
Fix sampleplot parameters not coresponding to the legend
|
2020-10-09 11:08:15 +02:00 |
|
|
|
a973526f20
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
|
|
fd09643704
|
Add missing set parameter
|
2020-10-06 13:12:18 +02:00 |
|
|
|
39b4f085a7
|
Fix difluorodiazieine
|
2020-10-06 13:11:19 +02:00 |
|
|
|
286787c2df
|
Update index
|
2020-10-06 09:41:07 +02:00 |
|
|
|
b7d56c2df1
|
Add new data from XLS file
|
2020-10-05 17:30:21 +02:00 |
|
|
|
f0905e68ad
|
Update sample plot
|
2020-10-02 10:05:12 +02:00 |
|
|
|
423db2ff9c
|
Fix typo in sample plot filename
|
2020-10-02 10:03:43 +02:00 |
|
|
|
7bf1d262e8
|
Fix carbon monoxide
|
2020-10-02 09:58:01 +02:00 |
|
|
|
8fbbd8f5ee
|
Add favicon
|
2020-10-01 15:50:29 +02:00 |
|
|
|
5aa52dfb9f
|
Fix typo for symmetry
|
2020-09-30 14:18:34 +02:00 |
|
|
|
8c1b5b541c
|
Fix multiplicity is int
|
2020-09-30 14:09:44 +02:00 |
|
