castep_param_io/param/basis_set/
fine_grid_scale.rs

1use castep_param_derive::KeywordDisplay;
2use serde::{Deserialize, Serialize};
3
4/// This keyword determines the maximum size of the g-vectors included in the fine grid relative to the standard grid.
5/// # Default
6/// 1  - this results in the fine and standard grids being identical
7/// # Example
8/// `FINE_GRID_SCALE : 2.0`
9#[derive(Debug, Clone, Copy, PartialEq, PartialOrd, Serialize, Deserialize, KeywordDisplay)]
10#[keyword_display(display_format="{:20.15}", from=f64,value=f64, field="FINE_GRID_SCALE", default_value=1.0)]
11pub struct FineGridScale(f64);
12
13#[cfg(test)]
14mod test {
15    use super::FineGridScale;
16
17    #[test]
18    fn fine_grid_scale() {
19        let p = FineGridScale::default();
20        println!("{p}")
21    }
22}