![]() | Name | Last modified | Size | Description |
---|---|---|---|---|
![]() | Parent Directory | - | ||
![]() | EofS | 2023-07-08 21:01 | 306 | |
![]() | EofS.1 | 2023-07-08 21:00 | 171 | |
![]() | EofS.2 | 2023-07-08 21:01 | 171 | |
![]() | GPU_debug_out | 2023-07-08 21:00 | 55K | |
![]() | aabk | 2023-07-08 20:51 | 9.6K | |
![]() | constraintfile | 2023-07-08 20:51 | 12K | |
![]() | coords.inpcrd | 2023-07-08 20:51 | 88K | |
![]() | coords.prmtop | 2023-07-08 20:51 | 1.1M | |
![]() | finish | 2023-07-08 20:51 | 151K | |
![]() | initial_chiral_states | 2023-07-08 20:53 | 8.8K | |
![]() | initial_cis_trans_states | 2023-07-08 20:53 | 6.4K | |
![]() | int.EofS | 2023-07-08 20:58 | 800 | |
![]() | int.xyz | 2023-07-08 20:58 | 5.0M | |
![]() | linear.xyz | 2023-07-08 20:53 | 5.0M | |
![]() | loalign | 2023-07-08 20:51 | 491K | |
![]() | min.in | 2023-07-08 20:51 | 141 | |
![]() | min.out | 2023-07-08 20:53 | 8.0K | |
![]() | min.rst | 2023-07-08 20:53 | 0 | |
![]() | odata | 2023-07-08 20:52 | 910 | |
![]() | odata.new | 2023-07-08 20:53 | 159K | |
![]() | output | 2023-07-08 21:01 | 308K | |
![]() | output.save | 2023-07-08 20:51 | 9.0M | |
![]() | pairs.newconnect | 2023-07-08 21:01 | 126 | |
![]() | path.1.xyz | 2023-07-08 21:00 | 483K | |
![]() | path.2.xyz | 2023-07-08 21:01 | 483K | |
![]() | path.info | 2023-07-08 21:01 | 1.1M | |
![]() | path.xyz | 2023-07-08 21:01 | 967K | |
![]() | perm.allow | 2023-07-08 20:51 | 7.4K | |
![]() | points.final | 2023-07-08 20:53 | 183K | |
![]() | sbatch.optim | 2023-07-08 20:51 | 693 | |
![]() | slurm-27104.out | 2023-07-08 21:01 | 75 | |
![]() | start | 2023-07-08 20:51 | 183K | |