mopac_core 0.1.1

High-performance Data-Oriented semi-empirical quantum chemistry core engine in Rust
Documentation
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//! Molecular Geometry Optimization.
//!
//! Licensed under the Apache License, Version 2.0 (the "License").

pub mod eigenvector_following;
pub mod hessian_update;
pub mod lbfgs;

pub use eigenvector_following::*;
pub use hessian_update::*;
pub use lbfgs::*;