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