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
Quick Reference
- Organization:
- Los Alamos National Lab
- Project Links:
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- Code Locations:
-
git://github.com/FreeON/freeon.git
- Licenses:
- GPL-3.0+
- Similar Projects:
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- Managers:
- Nicolas Bock
In a Nutshell, FreeON...
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has a well established, mature codebase
maintained by by one developer
with decreasing Y-O-Y commits -
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took an estimated 706 years of effort (COCOMO model)
starting with its first commit in October, 2000
ending with its most recent commit 9 months ago
Activity
30 Day Summary Apr 20 2013 — May 20 2013
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12 Month Summary May 20 2012 — May 20 2013
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Copyright
©
2013
Black Duck Software, Inc.
and its contributors, Some Rights Reserved. Unless otherwise marked, this work is licensed under a
Creative Commons Attribution 3.0 Unported License
. Ohloh
®
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Black Duck Software, Inc.
in the United States and/or other jurisdictions. All other trademarks are the property of their respective holders.