mopac_core 0.1.1

High-performance Data-Oriented semi-empirical quantum chemistry core engine in Rust
Documentation 
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//! MOZYME Linear Scaling Macromolecular Quantum Chemistry Engine.
//!
//! Licensed under the Apache License, Version 2.0 (the "License").
//! Implements $O(N)$ linear-scaling Localized Molecular Orbital (LMO) SCF
//! for macromolecules, proteins, and extended polymers matching OpenMOPAC `mozyme.F90`.

pub mod hybrid;
pub mod lewis;
pub mod locmin;
pub mod solver;
pub mod types;

pub use hybrid::*;
pub use lewis::*;
pub use locmin::*;
pub use solver::*;
pub use types::*;