![]() | Name | Last modified | Size | Description |
---|---|---|---|---|
![]() | Parent Directory | - | ||
![]() | GEO_OPT_CONVERGED | 2018-10-24 10:38 | 1.2K | |
![]() | basis | 2018-10-23 16:47 | 1.8K | |
![]() | control | 2018-10-24 10:38 | 2.0K | |
![]() | converged | 2018-10-24 10:37 | 321 | |
![]() | coord | 2018-10-24 10:37 | 5.3K | |
![]() | coord.xyz | 2018-10-23 16:47 | 4.6K | |
![]() | energy | 2018-10-24 10:38 | 31K | |
![]() | geo_001a.com | 2018-10-23 16:37 | 5.6K | |
![]() | geo_S02.xyz | 2018-10-23 16:31 | 3.0K | |
![]() | geo_s2a1.bash | 2018-10-23 16:48 | 1.0K | |
![]() | geo_s2a1.run | 2018-10-23 16:49 | 436 | |
![]() | gradient | 2018-10-24 10:37 | 5.4M | |
![]() | hessapprox | 2018-10-24 10:37 | 572K | |
![]() | job.last | 2018-10-24 10:38 | 61K | |
![]() | job.start | 2018-10-24 10:25 | 773 | |
![]() | jobex.out | 2018-10-24 10:37 | 211 | |
![]() | mos | 2018-10-24 10:38 | 13M | |
![]() | nextstep | 2018-10-24 05:38 | 5 | |
![]() | optinfo | 2018-10-24 05:37 | 19K | |
![]() | statistics | 2018-10-24 10:38 | 2.4K | |