|
localize.sh
|
Localise pyridine
|
2020-12-05 15:04:11 +01:00 |
|
pyridine.ang
|
Localise pyridine
|
2020-12-05 15:04:11 +01:00 |
|
pyridine.localized.nofci.out
|
Update outputs
|
2020-12-15 10:03:39 +01:00 |
|
pyridine.mo
|
Update files
|
2020-12-05 15:36:29 +01:00 |
|
pyridine.nofci.out
|
Update outpus
|
2020-11-18 10:01:08 +01:00 |
|
pyridine.xyz
|
Add pyridine and pyrimidine
|
2020-11-03 16:59:57 +01:00 |
|
run_fci.sh
|
Add pyridine and pyrimidine
|
2020-11-03 16:59:57 +01:00 |
|
run_loc.sh
|
Localise pyridine
|
2020-12-05 15:04:11 +01:00 |
|
run_restart.sh
|
Restart pyridine
|
2020-12-17 13:46:40 +01:00 |
|
slurm-490268.out
|
Update outpus
|
2020-11-18 10:01:08 +01:00 |
|
slurm-508621.out
|
Update outputs
|
2020-12-17 09:21:54 +01:00 |
