Software

We develop and support several open-source software packages for simulating soft materials.

relentless [docs]

relentless is an easy-to-use, highly extensible Python package for integrating molecular simulations with optimization for computational materials design.

flyft

flyft is a classical density functional theory solver.

azplugins [docs]

azplugins is a component (plugin) for HOOMD-blue which expands its functionality for tackling a variety of problems in soft matter physics.

gsd-vmd

gsd-vmd provides a VMD molfile plugin reader for GSD files generated by HOOMD-blue.

lammpsio

lammpsio is a set of pure Python tools for working with LAMMPS data and dump files.