CoordinateSet Source
Source for coordinate set generation
Available sources for coordinate set generation.
| Keyword | Parameters | Description |
|---|---|---|
File |
– | Read in coordinate sets from a supplied file |
MD |
– | Run molecular dynamics on the species in order to evolve its coordinates and generate coordinate sets |
Last modified February 24, 2023: Docs 1.0 (#1221) (6f6c04b7e)