This is part of the volumes module

This quantity can be used to calculate functions of the distribution of collective variables for the atoms that lie in a region where the density of a certain type of atom is high.

Examples

Glossary of keywords and components

The atoms involved can be specified using

ATOMS	the group of atoms that you would like to investigate. For more information on how to specify lists of atoms see Groups and Virtual Atoms
FIELD_ATOMS	the atom whose positions we are constructing a field from. For more information on how to specify lists of atoms see Groups and Virtual Atoms

Compulsory keywords

KERNEL	( default=gaussian ) the type of kernel function to be used
BANDWIDTH	the bandwidths for kernel density esimtation
CONTOUR	a switching funciton that tells PLUMED how large the density should be
CUTOFF	( default=6.25 ) the cutoff at which to stop evaluating the kernel functions is set equal to sqrt(2x)bandwidth in each direction where x is this number

Options

SERIAL

( default=off ) do the calculation in serial. Do not parallelize

OUTSIDE

( default=off ) calculate quantities for colvars that are on atoms outside the region of interest