GSYMFUNC_THREEBODY

	This is part of the symfunc module
	It is only available if you configure PLUMED with ./configure –enable-modules=symfunc . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.

Calculate functions of the coordinates of the coordinates of all pairs of bonds in the first coordination sphere of an atom

Examples

Glossary of keywords and components

Compulsory keywords

WEIGHT

the matrix that contains the weights that should be used for each connection

Options

SERIAL	( default=off ) do the calculation in serial. Do not parallelize
ARG	the input for this action is the scalar output from one or more other actions. The particular scalars that you will use are referenced using the label of the action. If the label appears on its own then it is assumed that the Action calculates a single scalar value. The value of this scalar is thus used as the input to this new action. If * or *.* appears the scalars calculated by all the proceeding actions in the input file are taken. Some actions have multi-component outputs and each component of the output has a specific label. For example a DISTANCE action labelled dist may have three components x, y and z. To take just the x component you should use dist.x, if you wish to take all three components then use dist.*.More information on the referencing of Actions can be found in the section of the manual on the PLUMED Getting Started. Scalar values can also be referenced using POSIX regular expressions as detailed in the section on Regular Expressions. To use this feature you you must compile PLUMED with the appropriate flag.. You can use multiple instances of this keyword i.e. ARG1, ARG2, ARG3...
FUNCTION	the parameters of the function you would like to compute. You can use multiple instances of this keyword i.e. FUNCTION1, FUNCTION2, FUNCTION3...