Action: GSYMFUNC_THREEBODY
Module | symfunc |
---|---|
Description | Usage |
Calculate functions of the coordinates of the coordinates of all pairs of bonds in the first coordination sphere of an atom |
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 | three matrices containing the bond vectors of interest |
WEIGHT | matrix | the matrix that contains the weights that should be used for each connection |
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:
Syntax
The following table describes the keywords and options that can be used with this action
Keyword | Type | Default | Description |
---|---|---|---|
ARG | input | none | three matrices containing the bond vectors of interest |
WEIGHT | input | none | the matrix that contains the weights that should be used for each connection |
SERIAL | optional | false | do the calculation in serial |
FUNCTION | optional | not used | the parameters of the function you would like to compute |