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[Licence| Download | New Version Template] aehg_v1_0.tar.gz(6655 Kbytes)
Manuscript Title: Las Palmeras Molecular Dynamics: A Flexible and Modular Molecular Dynamics Code
Authors: Sergio Davis, Claudia Loyola, Felipe González, Joaquín Peralta
Program title: LPMD
Catalogue identifier: AEHG_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 181(2010)2126
Programming language: C++.
Computer: 32-bit and 64-bit workstation.
Operating system: UNIX.
RAM: Minimum 1024 bytes
Keywords: Molecular Dynamics, Non Equilibrium Statistical Mechanics, Object-Oriented programming, C++.
PACS: 05.10.-a, 02.70.Ns, 02.70.-c, 07.05.Tp.
Classification: 7.7.

External routines: zlib, OpenGL

Nature of problem:
Study of Statistical Mechanics and Thermodynamics of condensed matter systems, as well as kinetics of non-equilibrium processes in the same systems.

Solution method:
Equilibrium and non-equilibrium molecular dynamics method, Monte Carlo methods.

Restrictions:
Rigid molecules are not supported. Polarizable atoms and chemical bonds (proteins) either.

Unusual features:
The program is able to change the temperature of the simulation cell, the pressure, cut regions of the cell, color the atoms by properties, even during the simulation. It is also possible to fix the positions and/or velocity of groups of atoms. Visualization of atoms and some physical properties during the simulation.

Additional comments:
The program does not only perform molecular dynamics and monte carlo simulations, it is also able to filter and manipulate atomic configurations, read and write different file formats, convert between them, evaluate different structural and dynamical properties.

Running time:
50 seconds on a 1000-step simulation of 4000 argon atoms, running on a single 2.67GHz Intel processor