chemrust-formats 0.2.0

The core modules defining the flow and structs of data in computational chemistry routines.
Documentation 
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mod constraints;
mod external_fields;
mod kpoints;
mod species_characters;
mod symmetry_ops;

pub use constraints::{FixAllCell, FixCOM, IonicConstraints};
pub use external_fields::{ExternalEField, ExternalPressure};
pub use kpoints::KPointsList;
pub use species_characters::SpeciesCharacteristics;
pub use symmetry_ops::SymmetryOps;

pub trait CellSettingExport {
    fn write_to_cell(&self) -> String;
}