mopac_core 0.1.1

High-performance Data-Oriented semi-empirical quantum chemistry core engine in Rust
Documentation
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//! Hamiltonian matrix constructors for MOPAC_RS.
//!
//! Licensed under the Apache License, Version 2.0 (the "License").

pub mod external_charges;
pub mod hcore;

pub use external_charges::*;
pub use hcore::*;