namespace clump

Overview

Clustering functions. This namespace contains functions that are used in the for clustering ice-like particles. More…

Detailed Documentation

Clustering functions. This namespace contains functions that are used in the for clustering ice-like particles.

Particles are clustered according to Stoddard’s algorithm (Stoddard J. Comp. Phys., 27, 291, 1977).

The largest ice cluster determines the largest cluster of ice-like particles, using a “linked list” created by the clustering algorithm. The determination of ice-like molecules can be done using the \(q_6\) parameter, CHILL or CHILL+ parameters.

The largest ice cluster thus determined can be re-centered for ease of visualization.

Changelog