castep_param_io/param/electro_min/
elec_dump_file.rs

1use castep_param_derive::KeywordDisplay;
2use serde::{Deserialize, Serialize};
3
4#[derive(
5    Debug,
6    Clone,
7    Hash,
8    Serialize,
9    Deserialize,
10    PartialEq,
11    Eq,
12    PartialOrd,
13    Ord,
14    Default,
15    KeywordDisplay,
16)]
17#[keyword_display(field="ELEC_DUMP_FILE",from=String,borrowed_value=str)]
18/// This keyword determines the name of the file into which wavefunction and
19/// density data are written, periodically during electronic minimization. This file can be used as a backup and is restored with the ELEC_RESTORE_FILE parameter.
20/// # Note
21/// If this parameter is set to NULL, no backup wavefunction or density data will be written.
22/// # Default
23/// `seedname.wvfn`
24/// # Example
25/// `ELEC_DUMP_FILE : test.wvfn`
26pub struct ElecDumpFile(String);