|
|
dbfe677e2b
|
last input correction
|
2021-11-03 13:29:12 +01:00 |
|
|
|
2d8ed7b9f7
|
Add input file for double
|
2021-11-03 13:29:12 +01:00 |
|
|
|
c726155e81
|
Some fixes and update on data
|
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 |
|
|
|
f7c410a5f4
|
Fix CCSDT-3 and EOM-MP2 for QUEST#5
|
2020-11-09 16:40:05 +01:00 |
|
|
|
bb0aa13dbf
|
Fix data for new methods
|
2020-11-09 10:53:26 +01:00 |
|
|
|
6c2725544f
|
Update QUEST#5 LaTeX input
|
2020-11-04 15:34:00 +01:00 |
|
|
|
17667bfd65
|
Remove uncomplete documentation
|
2020-10-29 18:08:28 +01:00 |
|
|
|
4ab3c1178b
|
Merge branch 'master' into newDataOldQuest
|
2020-10-27 15:15:50 +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 |
|
|
|
83f8d98616
|
Merge branch 'master' into newDataOldQuest
|
2020-10-12 09:53:35 +02:00 |
|
|
|
a973526f20
|
Fix Oscillator strength typo
|
2020-10-08 18:36:03 +02:00 |
|
|
|
39b4f085a7
|
Fix difluorodiazieine
|
2020-10-06 13:11:19 +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 |
|
|
|
5aa52dfb9f
|
Fix typo for symmetry
|
2020-09-30 14:18:34 +02:00 |
|
|
|
7762ec50ff
|
Fix typo in Carbon monoxide
|
2020-09-22 11:54:44 +02:00 |
|
|
|
f09ee7c0e0
|
Fix carbon monoxide name
|
2020-09-22 10:40:56 +02:00 |
|
|
|
07a389de77
|
Oscilator forces becomes Oscilator strenght
|
2020-09-22 10:05:05 +02:00 |
|
|
|
45cbad1cc6
|
Merge branch 'master' into ADC
|
2020-09-15 09:53:53 +02:00 |
|
|
|
5193c5630f
|
Fix QUEST#5 data and update it
|
2020-09-15 09:32:55 +02:00 |
|
|
|
8a85918f96
|
Merge branch 'master' into ADC
|
2020-09-11 09:33:24 +02:00 |
|
|
|
f8223b1ea2
|
Add new Data from Denis in fromXLSToLaTeX.tex
|
2020-09-10 15:15:19 +02:00 |
|
|
|
1102cc1b89
|
Merge branch 'master' into QUEST5
|
2020-09-09 17:59:26 +02:00 |
|
|
|
a2ca59853e
|
Merge branch 'master' into ADC
|
2020-09-09 13:39:41 +02:00 |
|
|
|
ced02eba06
|
Replace CC3(FC) by CC3 and delete doublons
|
2020-09-09 11:36:10 +02:00 |
|
|
|
802e839829
|
Change exFCI to FCI
|
2020-09-09 10:00:19 +02:00 |
|
|
|
cbe8631b5f
|
Merge branch 'master' into QUEST5
|
2020-09-07 09:48:34 +02:00 |
|
|
|
0ef8a7d20e
|
Merge branch 'master' into ADC
|
2020-09-04 15:09:27 +02:00 |
|
|
|
e21750c8b0
|
Remove IsSupporting
|
2020-09-04 14:23:54 +02:00 |
|
|
|
925f6a5e80
|
Merge branch 'master' into ADC
|
2020-08-26 15:14:13 +02:00 |
|
|
|
69206390c4
|
Merge branch 'master' into QUEST5
|
2020-08-26 13:58:34 +02:00 |
|
|
|
72c81981e8
|
Fix f of diazomethane 1 ^1B_1 (thanks Denis)
|
2020-08-26 12:55:05 +02:00 |
|
|
|
019e590c14
|
Fix triazine data for QUEST#3 ADC
|
2020-08-25 18:01:47 +02:00 |
|
|
|
7a53a8a151
|
Merge branch 'master' into ADC
|
2020-08-25 17:51:08 +02:00 |
|
|
|
3749efcdb0
|
Fix FCI2-SI example
|
2020-08-25 17:09:10 +02:00 |
|
|
|
93a5b28265
|
Add FCI2-TBE example
|
2020-08-25 17:08:52 +02:00 |
|
|
|
f5ecda8d98
|
Fix QUEST#5 data
|
2020-08-13 11:00:49 +02:00 |
|
|
|
e16777a37b
|
Merge branch 'master' into QUEST5
|
2020-08-06 18:58:00 +02:00 |
|
|
|
c38663815c
|
Fix ADC
|
2020-08-06 18:45:26 +02:00 |
|
|
|
24a91848ce
|
Merge branch 'master' into ADC
|
2020-08-06 18:43:34 +02:00 |
|
|
|
52d334e367
|
Fix isUnsafe
|
2020-08-06 18:24:42 +02:00 |
|
|
|
448bfca51b
|
Fix fluorescence of QUEST#3 addon
|
2020-08-05 19:04:20 +02:00 |
|
|
|
29b8c0c318
|
Fix states with addition of $$
|
2020-08-02 17:02:29 +02:00 |
|
|
|
44067faff4
|
Add example for fromXLSToLaTex format
|
2020-07-23 15:32:17 +02:00 |
|
|
|
2204183b66
|
Add ADC to examples
|
2020-06-26 18:35:03 +02:00 |
|
|
|
d165827036
|
Simplify \Fl
|
2020-06-26 18:34:17 +02:00 |
|
|
|
6f15d73054
|
replace firstState by initialState
|
2020-06-25 16:46:33 +02:00 |
|
