FreeON

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FreeON
Stable release
1.0.8 / November 8, 2013; 10 years ago (2013-11-08)
Written in
Computational Chemistry
LicenseGNU GPLv3
Website

In

LCAO basis. All algorithms are O(N) or O(N lg N) for non-metallic systems.[1][2][3][4][5][6][7]
Periodic boundary conditions in 1, 2 and 3 dimensions have been implemented through the Lorentz field (-point), and an
Molecular Dynamics
(MD).

Developers

Developer Affiliation
Matt Challacombe Los Alamos National Laboratory
Eric Schwegler Lawrence Livermore National Laboratory
C. J. Tymczak Texas Southern University
Anders M. Niklasson Los Alamos National Laboratory
Anders Odell KTH Stockholm
Nicolas Bock Los Alamos National Laboratory
Karoly Nemeth Argonne National Laboratory
Valery Weber University of Zurich
C. K. Gan Institute for High Performance Computing
Graeme Henkelman University of Texas at Austin
Robert Snavely University of Santa Cruz

See also

  • List of quantum chemistry and solid state physics software

References

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