Shortcut: CLUSTER_WITHSURFACE

Module	clusters
Description	Usage
Determine the atoms that are within a certain cutoff of the atoms in a cluster.
output value	type
a vector that is one for those atoms that are within the cluster or that are within a cetain cutoff of one of the atoms in the cluster and zero otherwise	vector

Further details and examples

Text from manual goes here

References

More information about how this action can be used is available in the following articles:

G. A. Tribello, F. Giberti, G. C. Sosso, M. Salvalaglio, M. Parrinello, Analyzing and Driving Cluster Formation in Atomistic Simulations. Journal of Chemical Theory and Computation. 13, 1317–1327 (2017)

Syntax

The following table describes the keywords and options that can be used with this action

Keyword	Type	Default	Description
ATOMS	compulsory	none	the atoms that were used to calculate the matrix that was clustered
CLUSTERS	compulsory	none	the label of the action that does the clustering
CLUSTER	compulsory	1	which cluster would you like to look at 1 is the largest cluster, 2 is the second largest, 3 is the the third largest and so on
RCUT_SURF	optional	not used	the cutoff to use for determining which atoms are connected to the surface of the cluster