|
|
828fa5cf6c
|
Add description class and simplify lables
|
2020-03-08 16:17:04 +01:00 |
|
|
|
574463f1d8
|
Merge branch 'master' into QUEST#2
|
2020-03-07 13:53:39 +01:00 |
|
|
|
1f15b5c429
|
Merge branch 'master' into QUEST#3
|
2020-03-07 13:53:09 +01:00 |
|
|
|
35d0d2aefc
|
Merge branch 'master' into TBE
|
2020-03-07 13:51:33 +01:00 |
|
|
|
da992f7edc
|
Change website name
|
2020-03-07 13:50:16 +01:00 |
|
|
|
477be17a5a
|
Fix empty files
|
2020-03-07 13:12:54 +01:00 |
|
|
|
8cd5a984c4
|
Fix QUEST#3
|
2020-03-07 12:45:37 +01:00 |
|
|
|
f30d271ae7
|
Regenerate QUEST#3
|
2020-03-05 14:53:51 +01:00 |
|
|
|
d4101a7f96
|
Create the metarecover tool
|
2020-03-05 14:52:42 +01:00 |
|
|
|
4ca9f30fd4
|
Add FCI2-Si example
|
2020-02-29 15:39:19 +01:00 |
|
|
|
4146474790
|
Merge branch 'TBE' into QUEST#3
|
2020-02-29 15:35:19 +01:00 |
|
|
|
5b6998c0d0
|
Fix space
|
2020-02-29 15:33:09 +01:00 |
|
|
|
7441257b01
|
Merge branch 'TBE' into QUEST#3
|
2020-02-29 15:06:37 +01:00 |
|
|
|
6af861727e
|
Fix space
|
2020-02-29 15:06:12 +01:00 |
|
|
|
ff248558fb
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
|
|
987a4db423
|
Merge branch 'QUEST#2' of git.irsamc.ups-tlse.fr:mveril/exdatabaseLCPQ into QUEST#2
|
2020-02-28 16:19:15 +01:00 |
|
|
|
0ecb6a26f6
|
Merge branch 'TBE' into QUEST#3
|
2020-02-28 16:10:26 +01:00 |
|
|
|
e10ade912a
|
fix file name for streptocyanine-C1
|
2020-02-28 16:04:44 +01:00 |
|
|
|
b663aa9a3b
|
Fix typo
|
2020-02-28 10:00:42 +01:00 |
|
|
|
0d2cf406e1
|
Fix doublon
|
2020-02-27 15:14:42 +01:00 |
|
|
|
2f3fd46f46
|
Fix carbon monxide data
|
2020-02-27 13:11:58 +01:00 |
|
|
|
12bbe7df75
|
Fix carbon monoxide
|
2020-02-27 13:01:01 +01:00 |
|
|
|
e5c5f120e0
|
Fix doublon
|
2020-02-27 12:43:18 +01:00 |
|
|
|
85d48a336e
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
|
|
559c8d5eb7
|
Fix bug in nitrosomethane
|
2020-02-27 10:28:08 +01:00 |
|
|
|
a986d9ae72
|
Fix some files
|
2020-02-27 10:23:37 +01:00 |
|
|
|
75458eca9a
|
Fix some things in the dafafileBuilder.md documentation file
|
2020-02-27 10:03:17 +01:00 |
|
|
|
ad2238c664
|
Fix streptocyanine-C1
|
2020-02-26 16:23:59 +01:00 |
|
|
|
93a2cffc5a
|
Complete datafileBuilder.md docmentation file
|
2020-02-25 15:38:26 +01:00 |
|
|
|
f85e7d75c8
|
Delete ZPE and twoStateDataFile
|
2020-02-25 14:00:18 +01:00 |
|
|
|
59fe15b56f
|
Add documentation for datafileBuilder.md
|
2020-02-24 15:03:59 +01:00 |
|
|
|
8142ecc324
|
Delete code dependency
|
2020-02-24 11:07:19 +01:00 |
|
|
|
4033f559fc
|
Try support quest#2 format
|
2020-02-24 09:46:19 +01:00 |
|
|
|
b2834312f7
|
Try support quest#2 format
|
2020-02-23 18:29:05 +01:00 |
|
|
|
3fd21f139a
|
use rowgroup instead of group for excitation
|
2020-02-20 15:46:22 +01:00 |
|
|
|
0714161047
|
Improve statistics table
|
2020-02-20 14:57:04 +01:00 |
|
|
|
c5208d13b5
|
Better stat table
|
2020-02-20 13:48:49 +01:00 |
|
|
|
da0c2e2a5c
|
use \n as method/basis separator in header
|
2020-02-20 11:55:22 +01:00 |
|
|
|
e66c042d2a
|
Optional separator between method and basis in toString() method
|
2020-02-20 11:54:50 +01:00 |
|
|
|
433396a2b8
|
Better head handling
|
2020-02-20 11:45:04 +01:00 |
|
|
|
d91cbf81f1
|
Fix space missing
|
2020-02-20 11:05:56 +01:00 |
|
|
|
50c814b612
|
Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
|
|
acce4d8b1d
|
Use ⌘ logo instead of CMD
|
2020-02-20 09:59:26 +01:00 |
|
|
|
aaee32b695
|
Use rowspan for molecule
|
2020-02-19 18:01:18 +01:00 |
|
|
|
c9bea63f51
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
|
|
65519a92b9
|
Add example from FCI-SI
|
2020-02-19 17:13:04 +01:00 |
|
|
|
c657307b2a
|
Add debug flag instead of DEBUG variable
|
2020-02-19 11:47:58 +01:00 |
|
|
|
cff3119df5
|
Fix bug in data.py
|
2020-02-17 15:18:08 +01:00 |
|
|
|
5fd4ad54c5
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
|
|
1c680f819c
|
Fix state number
|
2020-02-17 12:42:25 +01:00 |
|
