amep.cluster

Cluster Analysis

The AMEP module amep.cluster provides methods for particle-based simulation data that (i) identify clusters and (ii) calculate various cluster properties. Each method can be used with and without periodic boundary conditions.

Functions

center_of_mass(coords, box_boundary, mass[, ...])	Calculates the center of mass of the cluster containing the given points.
geometric_center(coords, box_boundary[, ...])	Calculate the geometric center of the cluster containing the given points.
gyration_tensor(coords, box_boundary, mass)	Calculate the gyration tensor of one cluster.
identify(coords, box_boundary[, sizes, pbc, ...])	Identify clusters from particle coordinates, and respective sizes.
inertia_tensor(coords, box_boundary, mass[, ...])	Calculates the moment of inertia tensor of the cluster containing the given coordinates.
linear_extension(coords, box_boundary, mass)	Calculate the linear extension (end-to-end distance) of one cluster.
masses(clusters, mass)	Calculates the masses of the given clusters.
radius_of_gyration(coords, box_boundary, mass)	Calculates the radius of gyration of the cluster containing the given coordinates.
sizes(clusters)	Calculates the sizes of the given clusters.