tag 'Molecular dynamics'

[template] OVITO python modifier

OVITO 2.6.0 allows users to program their own modifier in Python. Here provides a template including the common headers and a for-loop for per-particle assignment.

OVITO - The Open Visualization Tool - Version 2.6.1 - has been released

I do like using OVITO for analysis and visualization of my LAMMPS results.

My APEA conference paper is now available on Scientific.Net

K.Y. Fung, C.Y. Tang, Chi Fai Cheung, W.C. Law (2014). Molecular Dynamics Simulation of Plastic Deformation of Diamond at an Elevated Temperature.  Key Engineering Materials, 626, 329. doi:10.4028/www.scientific.net/KEM.626.329

Tip for scripting LAMMPS: Create And Rename A Folder Based On The Input Variables

In a molecular dynamics study, simulation is often repeated with different sets of parameters, e.g. dimensions, velocity, initial pressure and temperature. If the parameters are defined as variables in the...

How to Send a Notification from a LAMMPS Simulation to Your Email

Molecular dynamics simulations often take long computational times, from several hours to a few days. It is a boring job to monitor the progress of simulations. Very often, we switch...