mopac_core 0.1.1

High-performance Data-Oriented semi-empirical quantum chemistry core engine in Rust
Documentation 
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//! Core quantum-mechanical integrals for semi-empirical Hamiltonians.
//!
//! Licensed under the Apache License, Version 2.0 (the "License").

pub mod core_repulsion;
pub mod d_orbitals;
pub mod multipoles;
pub mod overlap;
pub mod rotation;
pub mod two_electron;

pub use core_repulsion::*;
pub use d_orbitals::*;
pub use multipoles::*;
pub use overlap::*;
pub use rotation::*;
pub use two_electron::*;