Tutorials

Packing a Dimer on a Cubic Lattice

Create a LAMMPS data file and also convert it to HOOMD-blue’s GSD format.

Packing a Dimer on a Cubic Lattice

Analyzing a Lennard-Jones Fluid

Read a LAMMPS dump file for a Lennard-Jones fluid and analyze it using freud.

Analyzing a Lennard-Jones fluid

Initializing an Ethanol-Water Mixture

Create a LAMMPS data file for an atomistic simulation of ethanol and water using PACKMOL and LAMMPS molecule templates.

Creating an Ethanol-Water Mixture

Speeding Up Analysis

Accelerate the analysis of a LAMMPS dump file for a linear polymer using NumPy and Numba.

Speeding Up Analysis