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#![crate_name = "vaspchg_rs"]
//! This is a crate aimed at reading/writing volumetric data file produced by [VASP](www.vasp.at).
//! Mostly the files should be [`CHGCAR`](https://www.vasp.at/wiki/index.php/CHGCAR),
//! [`CHG`](https://www.vasp.at/wiki/index.php/CHG) and [`PARCHG`](https://www.vasp.at/wiki/index.php/PARCHG)
//!
//! # Example
//! ```no_run
//! use vaspchg_rs::{ChgBase, ChgType};
//!
//! fn main() -> std::io::Result<()> {
//!     // Reading volumetric data
//!     let chgcar = ChgBase::from_file("CHGCAR")?;
//!
//!     // Writing volumetric data to another file
//!     chgcar.write_file("another_CHGCAR", ChgType::Chgcar)?;
//!
//!     // manipulating volumetric data
//!     let pos = chgcar.get_poscar().clone();
//!     let mut chg = chgcar.get_total_chg().clone();
//!     chg *= pos.scaled_volume();
//!
//!     // construct another ChgBase object
//!     let new_chg = ChgBase::from_builder(chg, vec![], pos);
//!     new_chg.write_file("new_CHGCAR", ChgType::Parchg)?;
//!     Ok(())
//! }
//! ```
//!
//! Detailed usage could be found in ChgBase and unit tests in `tests/` folder

mod error;
mod base;

pub use base::ChgType;
pub use base::ChgBase;