Name | Last modified | Size | Description | |
---|---|---|---|---|
Parent Directory | - | |||
start | 2022-12-22 22:55 | 104K | ||
slurm-24560.out | 2022-12-23 10:47 | 580 | ||
sbatch.OPTIM | 2022-12-23 10:41 | 1.7K | ||
perm.allow | 2022-12-22 23:01 | 1.6K | ||
path.xyz | 2022-12-23 10:47 | 275K | ||
path.info | 2022-12-23 10:47 | 312K | ||
path.1.xyz | 2022-12-23 10:47 | 275K | ||
pairs.newconnect | 2022-12-23 10:47 | 21 | ||
output | 2022-12-23 10:47 | 7.8M | ||
odata | 2022-12-23 11:01 | 1.0K | ||
nodes.info | 2022-12-23 10:41 | 59 | ||
min.rst | 2022-12-22 23:01 | 0 | ||
min.out | 2022-12-23 10:41 | 7.3K | ||
min.in | 2022-12-22 22:56 | 143 | ||
loalign | 2022-12-23 10:41 | 279K | ||
linear.xyz | 2022-12-23 10:41 | 1.8M | ||
int.xyz | 2022-12-23 10:45 | 1.8M | ||
int.EofS | 2022-12-23 10:45 | 500 | ||
initial_cis_trans_states | 2022-12-22 23:01 | 0 | ||
initial_chiral_states | 2022-12-23 10:41 | 9.3K | ||
finish | 2022-12-22 22:55 | 104K | ||
coords.prmtop | 2022-12-22 22:56 | 581K | ||
coords.inpcrd | 2022-12-22 22:56 | 50K | ||
GPU_debug_out | 2022-12-23 10:47 | 5.9M | ||
EofS.1 | 2022-12-23 10:47 | 171 | ||
EofS | 2022-12-23 10:47 | 153 | ||