8 projects
kinisi
Efficient estimation of diffusion processes from molecular dynamics.
py-sc-fermi
Self-consistent Fermi Analysis
vasppy
Python utilities for working with VASP inputs and outputs
bsym
A Basic Symmetry Module
polyhedral-analysis
A library for analysis of coordination polyhedra from molecular dynamics trajectories
site-analysis
MD analysis using site occupation trajectories
pyscses
PYthon Space-Charge Site Explicit Solver
lattice-mc
A lattice-gas Monte-Carlo simulation tool
