tag 'Command-line'

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...