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[Licence| Download | New Version Template] adqi_v1_0.gz(9 Kbytes)
Manuscript Title: Optimization and parallelization of a force field for silicon using OpenMP.
Authors: S. Goedecker
Program title: siliconiap
Catalogue identifier: ADQI_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 148(2002)124
Programming language: Fortran.
Computer: Compaq DEC Alpha.
Operating system: Unix, Linux.
Word size: 64
Keywords: Silicon, Interatomic potential, Force field, Molecular dynamics, Solid state physics, Other.
Classification: 7.7.

Nature of problem:
Condensed matter physics.

Solution method:
Interatomic potential.


Unusual features:
The code has been parallelized with OpenMP. The memory requirements are roughly 150 words per atom.

Running time:
30 musec per step and per atom on a Compaq DEC Alpha.