Action: NEIGHBORS
Module | adjmat |
---|---|
Description | Usage |
Build a matrix with ones in for the N nearest neighbours of an atom | |
output value | type |
a matrix in which the ij element is one if the ij-element of the input matrix is one of the NLOWEST/NHIGHEST elements on that row of the input matrix and zero otherwise | matrix |
Input
The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.
Keyword | Type | Description |
---|---|---|
ARG | matrix | the label of an adjacency/distance matrix that will be used to find the nearest neighbors |
Further details and examples
Text from manual goes here
Syntax
The following table describes the keywords and options that can be used with this action
Keyword | Type | Default | Description |
---|---|---|---|
ARG | input | none | the label of an adjacency/distance matrix that will be used to find the nearest neighbors |
NLOWEST | compulsory | 0 | in each row of the output matrix set the elements that correspond to the n lowest elements in each row of the input matrix equal to one |
NHIGHEST | compulsory | 0 | in each row of the output matrix set the elements that correspond to the n highest elements in each row of the input matrix equal to one |
SERIAL | optional | false | do the calculation in serial |