|
imidazole.ang
|
Fix imidazole ang
|
2020-11-20 09:47:54 +01:00 |
|
imidazole.fc.out
|
Add imidazole out
|
2020-10-28 11:47:46 +01:00 |
|
imidazole.fci.out
|
Update out
|
2020-10-29 14:57:16 +01:00 |
|
imidazole.localized.nofci.out
|
Update outputs
|
2020-11-30 09:58:00 +01:00 |
|
imidazole.mo
|
Starting imidazole localized
|
2020-11-20 11:00:02 +01:00 |
|
imidazole.natorb.out
|
Update out
|
2020-10-29 14:57:16 +01:00 |
|
imidazole.restart.nofci.out
|
Update outputs
|
2020-12-24 15:33:57 +01:00 |
|
imidazole.scf.out
|
Add imidazole out
|
2020-10-28 11:47:46 +01:00 |
|
imidazole.xyz
|
Add imidazole
|
2020-10-28 11:11:28 +01:00 |
|
localize.sh
|
Start localize imidazole
|
2020-11-19 10:56:09 +01:00 |
|
run_fci.sh
|
Add imidazole
|
2020-10-28 11:11:28 +01:00 |
|
run_loc.sh
|
Start localize imidazole
|
2020-11-19 10:56:09 +01:00 |
|
run_restart.sh
|
Restart imidazole 10 nodes
|
2020-12-26 14:39:46 +01:00 |
|
slurm-500149.out
|
Update outputs
|
2020-12-04 11:50:04 +01:00 |
|
slurm-511939.out
|
Update outputs
|
2020-12-24 15:33:57 +01:00 |
