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Hartree-Fock C++ Program

Introduction

HFCXX is a small software package used for Restricted Hartree Fock (RHF) simulations. It is written in C++ and should run decently fast up to large molecules.

Features

• RHF
• Multiple basis-sets
• Output of molecular orbitals in terms of constituting atomic orbitals

Compilation

A Makefile is added for easy compilation on Linux and Mac. For the Windows version binaries will be make (upcoming).