sci-form 0.15.2

High-performance 3D molecular conformer generation using ETKDG distance geometry
Documentation
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//! Density of States (DOS) and Projected DOS (PDOS).

#[allow(clippy::module_inception)]
pub mod dos;
pub mod multi_method;
pub use dos::{compute_dos, compute_pdos, DosResult};
#[cfg(feature = "parallel")]
pub use dos::{compute_dos_parallel, compute_pdos_parallel};
pub use multi_method::{compute_dos_multimethod, DosMethod, MultiMethodDosResult};