Averaging positions, velocities, forces, etc., for atoms in crystallographic layers

Published: 22 November 2024| Version 1 | DOI: 10.17632/tnf7fg3m4g.1
Contributor:
Zbigniew Kozioł

Description

A self-explanatory Perl script with sample data files to work with. Useful for data analysis of lammps' dump files. Has been used in: Zbigniew Kozioł, Stretched-exponential stress dynamics in chain of springs and masses model of crystals: analytical results and MD simulations, (2025)

Files

Steps to reproduce

Unpack and read the content of averagingX.pl. Reading the paper mentioned in the description above may be helpful.

Categories

Nonlinear Mechanics, Wave Propagation in Crystal

Licence