castep_param_io/param/general/
backup_setting.rs

1use castep_param_derive::KeywordDisplay;
2use serde::{Deserialize, Serialize};
3
4#[derive(
5    Debug, Clone, Copy, PartialEq, Eq, PartialOrd, Ord, Hash, Serialize, Deserialize, KeywordDisplay,
6)]
7#[keyword_display(specified_fields = true)]
8pub enum BackUpSetting {
9    /// This keyword specifies the interval, in seconds, between updates of the
10    /// backup restart files. This keyword is applicable for geometry optimization,
11    /// molecular dynamics, phonon or transition state search runs.
12    /// A value which is less than or equal to zero indicates that no updates will be performed.
13    #[keyword_display(field = "BACKUP_INTERVAL")]
14    BackupInterval(i64),
15    // This keyword specifies the number of geometry optimization or molecular
16    // dynamics iterations between updates of the backup restart files.
17    #[keyword_display(field = "NUM_BACKUP_ITER")]
18    NumBackupIter(u64),
19}
20
21impl Default for BackUpSetting {
22    fn default() -> Self {
23        Self::NumBackupIter(5)
24    }
25}