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 used in 1 tutorialsused in 0 eggs

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