Module: clusters
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: Gareth Tribello, Federico Giberti, Matteo Salvalaglio and Gabriele Sosso |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| CLUSTER_DIAMETER | Print out the diameter of one of the connected components. |
| CLUSTER_DISTRIBUTION | Calculate functions of the distribution of properties in your connected components. |
| CLUSTER_NATOMS | Calculate the number of atoms in the cluster of interest |
| CLUSTER_PROPERTIES | Calculate properties of the distribution of some quantities that are part of a connected component |
| CLUSTER_WEIGHTS | Setup a vector that has one for all the atoms that form part of the cluster of interest and that has zero for all other atoms. |
| CLUSTER_WITHSURFACE | Determine the atoms that are within a certain cutoff of the atoms in a cluster. |
| DFSCLUSTERING | Find the connected components of the matrix using the depth first search clustering algorithm. |
| OUTPUT_CLUSTER | Output the indices of the atoms in one of the clusters identified by a clustering object |