FreeON

I Use This!

Inactive

Analyzed 1 day ago. based on code collected 1 day ago.

Project Summary

FreeON is an experimental, open source (GPL) suite of programs for linear scaling quantum chemistry. It is highly modular, and has been written from scratch for N-scaling SCF theory in Fortran95 and C. Platform independent I/O is supported with HDF5. FreeON should compile with most modern Linux distributions and OS X. FreeON performs Hartree-Fock, pure Density Functional, and hybrid HF/DFT calculations (e.g. B3LYP) in a Cartesian-Gaussian LCAO basis. All algorithms are O(N) or O(N log N) for non-metallic systems. Periodic boundary conditions in 1, 2 and 3 dimensions have been implemented through the Lorentz field (Γ-point), and an internal coordinate geometry optimizer allows full (atom+cell) relaxation using analytic derivatives. Effective core potentials for energies and forces have been

In a Nutshell, FreeON...

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has had 5,053 commits made by 13 contributors
representing 992,147 lines of code
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is mostly written in Fortran (Fixed-format)
with a low number of source code comments
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has a well established, mature codebase
maintained by nobody
with stable Y-O-Y commits
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took an estimated 280 years of effort (COCOMO model)
starting with its first commit in October, 2000
ending with its most recent commit almost 9 years ago

Quick Reference

Organization:

Los Alamos National Lab

Project Links:

Homepage
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Code Locations:

https://github.com/FreeON/freeon

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Managers:

Nicolas Bock

Licenses

GNU General Public License v3.0 or later

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These details are provided for information only. No information here is legal advice and should not be used as such.

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Project Security

Vulnerabilities per Version ( last 10 releases )

There are no reported vulnerabilities

Project Vulnerability Report

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Few reported vulnerabilities

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