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.
tag 'Molecular dynamics'
I do like using OVITO for analysis and visualization of my LAMMPS results.
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
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...
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...