Tutorials, Examples, Snippets, Data, etc.


Custom Input Scripts

Tutorial 1a - Running your first simulation on Ubuntu, Calculating Basic Lattice Properties

Tutorial 1b - Calculating a pressure-volume curve

Tutorial 2a - Applying deformation to your system ( progress)

Tutorial 2b - More deformation types ( progress)

Tutorial 3 - Creating Dislocations (...coming soon)

Tutorial 4 - Calculating Elastic Constants (...coming soon)

Tutorial 5 - Calculating Melting Temperature (...coming soon)

Code Snippets

Lattice Orient Spacing

Lattice Custom

Documented crystal structures: SiC (2H, 3C, 4H); SnO2; Ti (omega); C (graphene)

Loops (...coming soon)

Modified from LAMMPS Examples Directory





Input of Carbon structures into simulations

Graphene, Graphullerene, Fullerenes

Other Reference Data files

Other Reference input scripts


Many of these examples started with a colleague asking for help with a new project or often: "is this possible to simulate?".

Over the years I have been offered a coffee or beer and had the opportunity to work on a number of these projects in my free time. The LAMMPS and other open-source communities were vital during my grad school and research - this is my way of giving back. If you still wish to show your thanks, I appreciate the gesture and, though it is not expected, it is very much appreciated.