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 May 14, 2024: feat: TemperatureSchedule module (#1892) (205b28d)