![]() | Name | Last modified | Size | Description |
---|---|---|---|---|
![]() | Parent Directory | - | ||
![]() | GEO_OPT_CONVERGED | 2018-11-23 11:54 | 1.2K | |
![]() | basis | 2018-11-22 15:03 | 1.8K | |
![]() | control | 2018-11-23 11:54 | 2.0K | |
![]() | converged | 2018-11-23 11:53 | 321 | |
![]() | coord | 2018-11-23 11:53 | 4.9K | |
![]() | coord.xyz | 2018-11-22 15:03 | 3.5K | |
![]() | energy | 2018-11-23 11:54 | 36K | |
![]() | geo_00743.bash | 2018-11-22 15:03 | 835 | |
![]() | geo_00743.run | 2018-11-22 15:03 | 436 | |
![]() | gradient | 2018-11-23 11:53 | 5.7M | |
![]() | hessapprox | 2018-11-23 11:53 | 476K | |
![]() | job.last | 2018-11-23 11:54 | 58K | |
![]() | job.start | 2018-11-23 10:18 | 772 | |
![]() | jobex.out | 2018-11-23 11:53 | 1.7K | |
![]() | mos | 2018-11-23 11:54 | 11M | |
![]() | nextstep | 2018-11-23 07:29 | 5 | |
![]() | optinfo | 2018-11-23 07:28 | 18K | |
![]() | statistics | 2018-11-23 11:54 | 2.4K | |