castep_param_io/param/density_mixing_params/mix_spin_amp.rs
1use castep_param_derive::KeywordDisplay;
2use serde::{Deserialize, Serialize};
3
4/// This keyword determines the mixing amplitude for the spin density in the density
5/// mixing procedure.
6/// # Default
7/// 2.0
8/// Example
9/// `MIX_SPIN_AMP : 1.754`
10#[derive(Debug, Clone, Copy, PartialEq, PartialOrd, Serialize, Deserialize, KeywordDisplay)]
11#[keyword_display(field="MIX_SPIN_AMP", from=f64,value=f64, display_format="{:20.15}", default_value=2.0)]
12pub struct MixSpinAmp(f64);