mainMolecular Dynamics Toolkit - Summary

 
 
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Id: 10502
System Name: mdtk
Name: Molecular Dynamics Toolkit
Group Type: non-GNU software and documentation

This group is not part of the GNU Project.

Molecular dynamics toolkit (MDTK) is a programming library and tools for performing molecular dynamics simulations.
The library provides unified implementations of the various molecular dynamics algorithms and interatomic potentials. In particular, the library contains implementations of the most common pair potentials (e.g. Lennard-Jones, Ziegler-Biersack-Littmark and Born-Mayer potentials), many-body potentials for hydrocarbons (Brenner, REBO and AIREBO potentials) and embedded atom model potentials for metals.
MDTK includes tools for visualizing molecular dynamics trajectories, preparing molecular dynamics experiments and analyzing obtained simulation results.
It is written in C++ and has lightweight object-oriented design.

Registration Date: Fri 19 Mar 2010 01:32:06 AM UTC
License: GNU General Public License v3 or later
Development Status: 3 - Alpha

 

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