mopac_core 0.1.1

High-performance Data-Oriented semi-empirical quantum chemistry core engine in Rust
Documentation 
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//! # `mopac_core`
//!
//! Modern high-performance Data-Oriented Semi-Empirical Quantum Chemistry Engine in Rust.
//! Licensed under the Apache License, Version 2.0 (the "License").

pub mod ci;
pub mod constants;
pub mod corrections;
pub mod fock;
pub mod gradients;
pub mod hamiltonian;
pub mod integrals;
pub mod mozyme;
pub mod opt;
pub mod parameters;
pub mod pbc;
pub mod properties;
pub mod reactions;
pub mod ri;
pub mod scf;
pub mod solvation;
pub mod types;
pub mod vibrations;

pub use ci::*;
pub use constants::*;
pub use corrections::*;
pub use fock::*;
pub use gradients::*;
pub use hamiltonian::*;
pub use integrals::*;
pub use mozyme::*;
pub use opt::*;
pub use parameters::*;
pub use pbc::*;
pub use properties::*;
pub use reactions::*;
pub use ri::*;
pub use scf::*;
pub use solvation::*;
pub use types::*;
pub use vibrations::*;