|
|
9b57d18319
|
Fix initial state
|
2020-05-22 15:27:35 +02:00 |
|
|
|
caf0ef124f
|
Fix first symmetry alignment
|
2020-03-27 14:35:01 +01:00 |
|
|
|
24079012e8
|
Delete active space data
|
2020-03-20 10:28:33 +01:00 |
|
|
|
78aea33f81
|
Merge branch 'QUEST#1' into QUEST#3
|
2020-03-18 15:02:20 +01:00 |
|
|
|
66e47a46ee
|
Fix FC
|
2020-03-15 17:49:22 +01:00 |
|
|
|
fcf71efa1e
|
Regenerate QUEST#1
|
2020-03-10 18:31:13 +01:00 |
|
|
|
f30d271ae7
|
Regenerate QUEST#3
|
2020-03-05 14:53:51 +01:00 |
|
|
|
ff248558fb
|
Fix \prime
|
2020-02-28 18:25:51 +01:00 |
|
|
|
0ecb6a26f6
|
Merge branch 'TBE' into QUEST#3
|
2020-02-28 16:10:26 +01:00 |
|
|
|
0d2cf406e1
|
Fix doublon
|
2020-02-27 15:14:42 +01:00 |
|
|
|
85d48a336e
|
Fix infinity doublon
|
2020-02-27 12:11:00 +01:00 |
|
|
|
50c814b612
|
Fix formaldehyde
|
2020-02-20 11:03:14 +01:00 |
|
|
|
c9bea63f51
|
Replace formaldehyde
|
2020-02-19 17:14:27 +01:00 |
|
|
|
5fd4ad54c5
|
Use LaTeX standard for \prime
|
2020-02-17 13:25:15 +01:00 |
|
|
|
8065db3929
|
Add missing data for new files
|
2020-02-17 11:34:21 +01:00 |
|
|
|
a9902def31
|
Add last table
|
2020-02-17 11:34:21 +01:00 |
|
|
|
42d024d0e3
|
Add cyanogen
|
2020-02-17 11:34:20 +01:00 |
|
|
|
5624a86b94
|
Add cyanogen
|
2020-02-17 11:34:20 +01:00 |
|
|
|
84f8aa7797
|
Add cyanoacetylene
|
2020-02-17 11:34:20 +01:00 |
|
|
|
ea1a3306ee
|
Add DOI for TBE
|
2020-02-17 11:34:19 +01:00 |
|
|
|
d1d3661d48
|
Add missing geometry and code
|
2020-02-17 11:34:19 +01:00 |
|
|
|
85dac2e65e
|
Fix TBE
|
2020-02-17 11:31:07 +01:00 |
|
|
|
b5fac54f04
|
Add TBE
|
2020-02-17 11:28:58 +01:00 |
|
|
|
024b89a49c
|
Add DOI
|
2020-02-17 11:28:58 +01:00 |
|
|
|
b3e470bbd8
|
Fix aug
|
2020-02-17 11:28:57 +01:00 |
|
|
|
a21d98b0ea
|
Add data for cyanogen
|
2020-02-17 11:28:57 +01:00 |
|
|
|
e86f954830
|
Add data for cyanoacetylene for QUEST#3
|
2020-02-17 11:28:57 +01:00 |
|
|
|
daa62495fa
|
Add geometry and DOI
|
2020-02-15 17:43:30 +01:00 |
|
|
|
cbb0a8e219
|
Add missing files of QUEST#1
|
2020-02-15 17:40:52 +01:00 |
|
|
|
5392b9ee53
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
|
|
e759d88c77
|
Fix CBS
|
2020-02-03 15:51:17 +01:00 |
|
|
|
f86ca7a42a
|
Fix methods names
|
2020-02-03 15:07:32 +01:00 |
|
|
|
f66426453f
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
|
|
|
b875dae624
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
|
|
0131432b07
|
Use ∞ symbol instead of latex
|
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 |
|
|
|
a2f04156a3
|
Add code for new CC3 files
|
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 |
|
|
|
b29ce581d2
|
Add DOI to new datas
|
2020-01-29 17:20:34 +01:00 |
|
|
|
68eac5baf5
|
Add Larger compounds table of supporting
|
2020-01-29 17:20:34 +01:00 |
|
|
|
0da83827b0
|
Add thioformaldehyde CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
|
|
81ad786acd
|
Add Formaldehyde CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
|
|
cc6f12852e
|
Add acetylene CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
|
|
705bc731bc
|
Rename and fix TBE and TBE(FC)
|
2020-01-29 17:20:34 +01:00 |
|
|
|
7d2f503388
|
Add basis for TBE
|
2020-01-29 17:20:34 +01:00 |
|
|
|
3a72177129
|
Add code
|
2020-01-29 17:20:34 +01:00 |
|
