|
|
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 |
|
|
|
66e47a46ee
|
Fix FC
|
2020-03-15 17:49:22 +01:00 |
|
|
|
fcf71efa1e
|
Regenerate QUEST#1
|
2020-03-10 18:31:13 +01:00 |
|
|
|
feea071247
|
Fix excitations for carbon monoxide
|
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 |
|
|
|
9b9fa79d88
|
Add Carbon monoxide CC3 supporting
|
2020-01-29 17:20:34 +01:00 |
|
