![]() | Name | Last modified | Size | Description |
---|---|---|---|---|
![]() | Parent Directory | - | ||
![]() | GEO_OPT_FAILED | 2018-11-23 22:43 | 149 | |
![]() | aR_1.bash | 2018-11-20 13:43 | 835 | |
![]() | aR_1.run | 2018-11-22 11:39 | 432 | |
![]() | basis | 2018-11-20 13:50 | 1.8K | |
![]() | control | 2018-11-23 22:43 | 2.0K | |
![]() | coord | 2018-11-23 22:42 | 5.3K | |
![]() | coord.xyz | 2018-11-20 13:48 | 4.6K | |
![]() | energy | 2018-11-23 22:43 | 92K | |
![]() | geo_00743.bash | 2018-11-20 13:43 | 835 | |
![]() | geo_00743.run | 2018-11-20 13:43 | 436 | |
![]() | gradient | 2018-11-23 22:42 | 16M | |
![]() | hessapprox | 2018-11-23 22:42 | 572K | |
![]() | job.last | 2018-11-23 22:43 | 62K | |
![]() | job.start | 2018-11-23 09:51 | 772 | |
![]() | jobex.out | 2018-11-23 22:43 | 11K | |
![]() | mos | 2018-11-23 22:43 | 13M | |
![]() | nextstep | 2018-11-23 22:43 | 5 | |
![]() | not.converged | 2018-11-23 22:42 | 325 | |
![]() | optinfo | 2018-11-23 22:42 | 19K | |
![]() | statistics | 2018-11-23 22:43 | 3.3K | |