castep_param_io/param/electro_min/
elec_convergence_win.rs

1use castep_param_derive::KeywordDisplay;
2use serde::{Deserialize, Serialize};
3
4#[derive(
5    Debug, Clone, Copy, PartialEq, Eq, PartialOrd, Ord, Serialize, Deserialize, KeywordDisplay,
6)]
7#[keyword_display(field="ELEC_CONVERGENCE_WIN", from=u64,value=u64, default_value=3)]
8/// This keyword determines the size of the convergence window during a electronic minimization run.
9/// The total energy or eigenvalue must lie within ELEC_ENERGY_TOL or ELEC_EIGENVALUE_TOL respectively, for the last ELEC_CONVERGENCE_WIN iterations for the convergence criteria to be met.
10/// # Note
11/// The value of ELEC_CONVERGENCE_WIN must be greater than or equal to 2.
12/// # Default
13/// 3
14/// # Example
15/// `ELEC_CONVERGENCE_WIN : 4`
16pub struct ElecConvergenceWin(u64);