EMC: An all-encompassing workflow to create input and run simulations with LAMMPS
- Friday, 13 Aug 2021
12:50 - 13:50 EDT
In this session, I will demonstrate how to use EMC for creating your input structures for LAMMPS. Subsequently, I will also show, how you can use EMC as the center of your work flows for creating large data sets consisting of many LAMMPS simulations. Time permitting, I hope to be able to demonstrate a plug-in for VMD, which allows to create input files for LAMMPS in combination with VMD. If you want to follow along with the tutorial, please use the Virtual Box provided on the LAMMPS Workshop web page, use the Firefox browser within to download the newest version of EMC after August 8 from http://montecarlo.sourceforge.net/ and install it inside of the VM. Conversely, you might want to install VMD in the VM if you would like to follow along with the VMD tutorial.