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.
Python package for simulation and data analysis of interacting colloidal particle systems.
💻 Automatic lipid mapping topology writer
Calculate lipid order parameters from Gromacs simulations
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