XMD - Molecular Dynamics for Metals and Ceramics

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Companion Programs

A DOS/Windows program for real-time 2D atomistic simulations.

Program for viewing on DOS/Windows PC an animation made from simulation output using WMOVIEC below. The executable is available here.

Program for creating a DOS/Windows animation viewable on a DOS/Windows PC using VMOVIEC above.

Auxiliary program for inserting a crack into an atomic lattice.

Program for calculating Mean Square Displacement from RCV or COR files.

Strain calculates the strain of a solid. It does this by reading atom positions at two time steps, calculating the displacements of each atom that occurred between these time steps, and then for each atom calculating the strain which best fits the displacements of the atom and its neighbors.

The program can read atom positions from both plain text files and XMD's .cor files, and produces text output. It is written in Python. The package includes documentation and a short paper describing the best fit strain algorithm. Download it from here.

Perl script which converts XMD text output (.xmo files) to a form convenient for use with GNUPLOT and other programs.

Perl script to calculate averages and other statistics on columnar text files such as the ouptut of varf above.