castep_param_io/param/basis_set/
grid_scale.rs

1use castep_param_derive::KeywordDisplay;
2use serde::{Deserialize, Serialize};
3
4/// This keyword determines the size of the standard grid, relative to the diameter of the cutoff sphere.
5/// # Default
6/// `1.75`
7/// # Example
8/// `GRID_SCALE : 2.0`
9#[derive(Debug, Clone, Copy, PartialEq, PartialOrd, Serialize, Deserialize, KeywordDisplay)]
10#[keyword_display(field="GRID_SCALE",
11    from=f64,
12    value=f64,
13    display_format="{:20.15}",
14    default_value=1.75
15)]
16pub struct GridScale(f64);