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 |