|
|
1bfc45de52
|
cmd should not be removed from collection
|
2022-01-19 14:48:23 +01:00 |
|
|
|
28181e6925
|
Use PageRange package to interprete the \excludecolumns command in the input file (allow printer range syntax)
|
2022-01-18 15:32:11 +01:00 |
|
|
|
87e3329070
|
Fix bug in 5e1e328
|
2022-01-18 10:35:13 +01:00 |
|
|
|
4da48cda32
|
Fix dataset links in faq
|
2022-01-18 10:29:17 +01:00 |
|
|
|
5e1e328cc3
|
Fix typos
|
2022-01-18 10:25:50 +01:00 |
|
|
|
f0ab0482e0
|
faq additions
|
2021-12-07 13:25:50 +01:00 |
|
|
|
55196019a9
|
faq additions
|
2021-12-07 13:25:27 +01:00 |
|
|
|
da3007bf99
|
Add the Frequently Asked Questions page
|
2021-12-07 09:11:36 +01:00 |
|
|
|
816e4e6ec1
|
Fix QUEST#6 experimental
|
2021-12-06 09:32:45 +01:00 |
|
|
|
9b23fdce66
|
Add QUEST#7 publication
|
2021-12-06 09:32:21 +01:00 |
|
|
|
331bf4280e
|
Add data from QUEST#6 main paper
|
2021-12-06 09:32:00 +01:00 |
|
|
|
1fdb7facf9
|
Enable picture and abstract for others publications
|
2021-12-06 09:31:14 +01:00 |
|
|
|
e8aa3011d8
|
Add picture and abstract for Grotjahn publication
|
2021-12-06 09:30:55 +01:00 |
|
|
|
25f0f5099a
|
Add Grotjahn publication
|
2021-12-06 09:30:35 +01:00 |
|
Pierre-Francois Loos
|
929b7725e1
|
CT
|
2021-12-03 20:34:42 +01:00 |
|
Pierre-Francois Loos
|
c049155b62
|
CT
|
2021-12-03 20:32:41 +01:00 |
|
Pierre-Francois Loos
|
009eecdc11
|
CT
|
2021-12-03 20:32:14 +01:00 |
|
Pierre-Francois Loos
|
080ed64d6d
|
CT
|
2021-12-03 20:31:14 +01:00 |
|
Pierre-Francois Loos
|
242dde167e
|
CT
|
2021-12-03 20:27:26 +01:00 |
|
Pierre-Francois Loos
|
a2374f8754
|
CT
|
2021-12-03 20:23:20 +01:00 |
|
Pierre-Francois Loos
|
fd5e71fce5
|
CT
|
2021-12-03 20:22:58 +01:00 |
|
Pierre-Francois Loos
|
02d026639f
|
CT
|
2021-12-03 20:20:20 +01:00 |
|
Pierre-Francois Loos
|
60dc8f7411
|
QUEST 6 and 7
|
2021-12-03 20:15:12 +01:00 |
|
Pierre-Francois Loos
|
f9d9acf985
|
subsets
|
2021-12-03 20:02:55 +01:00 |
|
|
|
0c43f9a336
|
test
|
2021-12-03 12:48:45 +01:00 |
|
|
|
4d41c1d8e3
|
test
|
2021-12-03 12:48:21 +01:00 |
|
|
|
718795aebb
|
More explicit export buttons
|
2021-11-29 13:48:59 +01:00 |
|
|
|
b5ef408750
|
Fix subsets size
|
2021-11-29 13:48:59 +01:00 |
|
|
|
cbb0e351fe
|
Update subsets
|
2021-11-29 13:48:59 +01:00 |
|
|
|
51e60c9c08
|
Add CT support
|
2021-11-12 18:13:52 +01:00 |
|
|
|
ebffabb384
|
Fix CT transition for hydrogen chloride
|
2021-11-12 18:13:52 +01:00 |
|
|
|
e0e3bb1597
|
Support LaTex in molecule name
|
2021-11-12 18:13:52 +01:00 |
|
|
|
c3b19c8f7a
|
Fix pubimport picture file extension
|
2021-11-12 18:13:52 +01:00 |
|
|
|
d13096959c
|
Add many options to datafilebuilder input to exclude columns, set defaultBasis (for formats that need it) or add metadata like geometry or set
|
2021-11-12 18:13:52 +01:00 |
|
|
|
c3f18d575e
|
New reference for excitation type is now only TBE_aug-cc-pVTZ
|
2021-11-03 13:29:12 +01:00 |
|
|
|
ba68dc7b5c
|
Fix symmetry
|
2021-11-03 13:29:12 +01:00 |
|
|
|
dbfe677e2b
|
last input correction
|
2021-11-03 13:29:12 +01:00 |
|
|
|
990e838577
|
Replace QUEST#2,1 by QUEST#2,0
|
2021-11-03 13:29:12 +01:00 |
|
|
|
76e76aacb9
|
Big fix for double and formamide
|
2021-11-03 13:29:12 +01:00 |
|
|
|
fa10f600b8
|
Update QUEST#2
|
2021-11-03 13:29:12 +01:00 |
|
|
|
7fe13a7600
|
Update the fromXLSToLaTeX format to correctly handle double
|
2021-11-03 13:29:12 +01:00 |
|
|
|
2d8ed7b9f7
|
Add input file for double
|
2021-11-03 13:29:12 +01:00 |
|
|
|
c85e67c167
|
Fix "n.d."
|
2021-11-03 13:29:12 +01:00 |
|
|
|
c726155e81
|
Some fixes and update on data
|
2021-11-03 13:29:12 +01:00 |
|
|
|
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 |
|
|
|
7e0e677627
|
Fix excel2
|
2021-11-03 13:29:12 +01:00 |
|
|
|
ae49e99be1
|
New xlsx wo QUEST#2
|
2021-11-03 13:29:12 +01:00 |
|
|
|
b08795c66b
|
Fix subtitle
|
2021-09-01 19:39:58 +02:00 |
|
|
|
8d6e67c69c
|
Update known working versions
|
2021-03-29 18:11:50 +02:00 |
|
