|
|
f770dd0858
|
Update README.md
|
2020-10-29 20:40:14 +01:00 |
|
|
|
564abfb6da
|
Change repo url to use github
|
2020-10-29 18:34:10 +01:00 |
|
|
|
c00a2dcead
|
Change relative links for github
|
2020-10-29 18:31:27 +01:00 |
|
|
|
2f66dffc09
|
Change repo name
|
2020-10-29 18:24:02 +01:00 |
|
|
|
17667bfd65
|
Remove uncomplete documentation
|
2020-10-29 18:08:28 +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 |
|
|
|
9d33bacaab
|
Merge branch 'master' into newDataOldQuest
|
2020-10-20 17:01:53 +02:00 |
|
|
|
466a4eb945
|
Add spi (\sigma -> \pi^\star) support for xls format
|
2020-10-19 18:53:39 +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 |
|
|
|
2d9492471f
|
Fix basis sort
|
2020-10-09 10:32:02 +02:00 |
|
|
|
13ea1361c2
|
self.Command is now uppercase
|
2020-10-08 18:41:13 +02:00 |
|
|
|
a973526f20
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
|
|
8eded8313c
|
Merge branch 'master' into newDataOldQuest
|
2020-10-06 13:59:25 +02:00 |
|
|
|
5a162ed07f
|
Beter abstract class definition for formatHandlerBase
|
2020-10-06 13:59:06 +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 |
|
|
|
55a9fcea1e
|
Fix format
|
2020-10-06 09:29:19 +02:00 |
|
|
|
b7d56c2df1
|
Add new data from XLS file
|
2020-10-05 17:30:21 +02:00 |
|
|
|
d685bee542
|
Fix fluorescence support for fromXLSToLaTeX format
|
2020-10-04 17:14:41 +02:00 |
|
|
|
6871e0f2e5
|
Deleting the commented code
|
2020-10-04 16:25:10 +02:00 |
|
|
|
f0905e68ad
|
Update sample plot
|
2020-10-02 10:05:12 +02:00 |
|
