Module: sizeshape

Description	Usage
Linear projection in size and shape space
Authors: Subarna Sasmal and Glen M Hocky

Details

This sizeshape module contains method for calculating a 1D linear projection and the Mahalanobis distance in size and shape space for a given reference configurational distribution.

Installation

This module is not installed by default. Add --enable-modules=sizeshape to your './configure' command when building PLUMED to enable these features.

Actions

The following actions are part of this module

Tags

COLVAR

COLVAR: a function of a set of atomic positions that returns a scalar

Name	Description	Tags
SIZESHAPE_POSITION_LINEAR_PROJ	Calculates a linear projection in the space of a given reference configurational distribution in size-and-shape space.	COLVAR
SIZESHAPE_POSITION_MAHA_DIST	Calculates Mahalanobis distance of a current configuration from a given reference configurational distribution in size-and-shape space.	COLVAR