Migration to freud Version 3#

Version 3 of the freud library introduces a few breaking changes to make the API more intuitive and facilitate future development. This guide explains how to alter scripts which use freud v2 APIs so they can be used with freud v3.

Overview of API Changes#

Goal	v2 API	v3 API
Use default RDF normalization.	`freud.density.RDF(..., normalize=False)`	`freud.density.RDF(..., normalization_mode='exact')`
Normalize small system RDFs to 1.	`freud.density.RDF(..., normalize=True)`	`freud.density.RDF(..., normalization_mode='finite_size')`
Color voronoi diagram by number of cell sides.	`voro.plot(..., color_by_sides=True)`	`voro.plot(..., color_by='sides')`
Get vectors corresponding to neighbor pairs.	`points[nlist.point_indices] - points[nlist.query_point_indices]`	`nlist.vectors`
Create a custom neighborlist from arrays.	`freud.locality.NeighborList.from_arrays(..., distances=...)`	`freud.locality.NeighborList.from_arrays(..., vectors=...)`
Compare environments of all particle pairs with `EnvironmentCluster`.	`env_cluster.compute(..., global_search=True)`	`env_cluster.compute(..., neighbors=all_pairs_nlist, ...)`
Use `EnvironmentMotifMatch` with a set of neighbors	`freud.environment.EnvironmentMotifMatch().compute(..., neighbors=...)`	`freud.environment.EnvironmentMotifMatch().compute(..., env_neighbors=...)`
Use `EnvironmentCluster` with a set of neighbors that define the cluster	`freud.environment.EnvironmentCluster().compute(..., neighbors=...)`	`freud.environment.EnvironmentCluster().compute(..., cluster_neighbors=...)`
Compute nematic order parameter.	`freud.order.Nematic(u=director).compute(orientations=quaternions)`	`freud.order.Nematic().compute(orientations=orientation_vectors)`