.. title: Ergo
.. slug: ergo
.. date: 2013-03-04
.. tags: Quantum Mechanics, GPL, C++
.. link: http://ergoscf.org/
.. category: Open Source
.. type: text open_source
.. comments:
Ergo is a quantum chemistry program for large-scale self-consistent field calculations. It performs electronic structure calculations using Hartree-Fock and Kohn-Sham density functional theory using Gaussian basis sets. Linear scaling techniques are employed such as fast multipole methods, hierarchic sparse matrix algebra, density matrix purification, and efficient integral screening.