castep_param_io/param/density_mixing_params/
mix_spin_gmax.rs

1use castep_param_derive::KeywordDisplayStruct;
2use derive_builder::Builder;
3use serde::{Deserialize, Serialize};
4
5use crate::param::InvLengthUnit;
6
7#[derive(
8    Debug, Clone, Copy, PartialEq, PartialOrd, Serialize, Deserialize, KeywordDisplayStruct, Builder,
9)]
10#[keyword_display(field = "MIX_SPIN_GMAX", display_format = "{:20.15} {}", from=f64, default_value=1.5)]
11/// This keyword determines the maximum g-vector at which the spin density is
12/// mixed in the density mixing procedure.
13/// # Default
14/// 1.5 Å-1
15/// # Example
16/// `MIX_SPIN_GMAX : 0.89 1/ang`
17pub struct MixSpinGmax {
18    pub gmax: f64,
19    #[keyword_display(is_option = true)]
20    pub unit: Option<InvLengthUnit>,
21}