metadynamics
Public Attributes
CollectiveVariableItem Struct Reference

Detailed Description

Structure to hold information about a collective variable.

List of all members.

Public Attributes

boost::shared_ptr
< CollectiveVariable
m_cv
 The collective variable.
Scalar m_sigma
 Width of compensating gaussians for this variable.
Scalar m_cv_min
 Minium value of collective variable (if using grid)
Scalar m_cv_max
 Maximum value of collective variable (if using grid)
Scalar m_num_points
 Number of grid points for this collective variable.

The documentation for this struct was generated from the following file: