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Features of OOPSE
- OOPSE performs Molecular Dynamics (MD) simulations
on non-standard atom types (transition metals, point
dipoles, sticky potentials, Gay-Berne ellipsoids, or other
"lumpy"atoms with orientational degrees of
freedom).
- OOPSE uses a force-based decomposition algorithm
using MPI on cheap Beowulf clusters to obtain very
efficient parallelism.
- OOPSE integrates the equations of motion using
advanced methods
for orientational dynamics in NVE, NVT, NPT, NPAT, and
NsT ensembles
- OOPSE can carry out simulations on metallic systems
using the Embedded Atom Method (EAM) as well as the
Sutton-Chen potential,
- OOPSE can perform simulations on Gay-Berne liquid
crystals.
- OOPSE can simulate systems containing the extremely efficient
extended-Soft Sticky Dipole (SSD/E) model for
water.
- OOPSE is FREE (OpenSource) software!
- OOPSE is an OpenScience Project
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