Python library written in C++ for calculation of local atomic structural environment

OVITO Python modifier to compute the Warren-Cowley parameters.

OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.

💻 Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.

🚰 A tool to characterize the local structure of liquid water by geometric order parameters.

A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.

💻 Automatic lipid mapping topology writer