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Commit Graph

511 Commits

Author SHA1 Message Date
7329a48a22 Fix style on noscript 2020-01-29 17:20:35 +01:00
71ec661006 Center all numeric cell in table 2020-01-29 17:20:35 +01:00
1e744ba58a Add noscript message if JavaScript is disabled 2020-01-29 17:20:34 +01:00
3e0a68e3ea Rename publication to set 2020-01-29 17:20:34 +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
902df0b5d5 Switch to noNanFixed with 2 digits after coma to follow same beaviour as QUEST#1 statistics 2020-01-29 17:20:34 +01:00
6d47a909f8 Change precision to two digits to follow same beaviour as QUEST#1 statistics 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
a0ab5a31ec Change select display 2020-01-29 17:20:34 +01:00
7987fb11df Delete SI from select 2020-01-29 17:20:34 +01:00
0131432b07 Use ∞ symbol instead of latex 2020-01-29 17:20:34 +01:00
18be81d5ba Allow to load Absorbtion and fluorescence at the same time 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
cf683fb59d dissociate Method and basis selector 2020-01-29 17:20:34 +01:00
e4bc15babe Fix bad DOI 2020-01-29 17:20:34 +01:00
b62e1f1a72 Fix infty not loadable with a rename 2020-01-29 17:20:34 +01:00
ceed877727 Add information for missing table 2020-01-29 17:20:34 +01:00
a1fd68d63c Add missing table 2020-01-29 17:20:34 +01:00
5d5503c075 Revert "Combine all basis for statistics"
This reverts commit 09ad520fce3d6cabe317f5677d46fd2af8f796d2.
2020-01-29 17:20:34 +01:00
10ad157c04 Fix cleaning select 2020-01-29 17:20:34 +01:00
be116ca2db Combine all basis for statistics 2020-01-29 17:20:34 +01:00
a2f04156a3 Add code for new CC3 files 2020-01-29 17:20:34 +01:00
c166b3555d Combine supporting and not for statistics 2020-01-29 17:20:34 +01:00
5bb19399f3 Change filters beaviour (one or more criteria) 2020-01-29 17:20:34 +01:00
f051f48b42 Add geometry for new files 2020-01-29 17:20:34 +01:00
b50c16e001 Replace CC3(FC) by CC3 2020-01-29 17:20:34 +01:00
2d91d4d32d Fix warning color emoji on macOS 2020-01-29 17:20:34 +01:00
5a61b3fc92 Fix nestedCheckbox parent behaviour 2020-01-29 17:20:34 +01:00
abae66d2b3 Fix publication not shown in select when it's not in sets 2020-01-29 17:20:34 +01:00
13f775a03c Add description for Singulet and Triplet 2020-01-29 17:20:34 +01:00
0d719fd918 Fix double flag not set 2020-01-29 17:20:34 +01:00