metadynamics
Public Member Functions
CollectiveVariableWrap Class Reference

Detailed Description

Wrapper for abstract class CollectiveVariable.

Inheritance diagram for CollectiveVariableWrap:
Inheritance graph
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List of all members.

Public Member Functions

 CollectiveVariableWrap (boost::shared_ptr< SystemDefinition > sysdef, const std::string &name)
 Constructs a CollectiveVariableWrap.
void computeForces (unsigned int timestep)
Scalar getCurrentValue (unsigned int timestep)
- Public Member Functions inherited from CollectiveVariable
 CollectiveVariable (boost::shared_ptr< SystemDefinition > sysdef, const std::string &name)
virtual void setBiasFactor (Scalar bias)
std::string getName ()

Additional Inherited Members

- Protected Attributes inherited from CollectiveVariable
Scalar m_bias
std::string m_cv_name

Constructor & Destructor Documentation

CollectiveVariableWrap ( boost::shared_ptr< SystemDefinition >  sysdef,
const std::string &  name 
)
inline

Constructs a CollectiveVariableWrap.

Parameters:
sysdefThe system definition
nameName of the collective variable

Member Function Documentation

void computeForces ( unsigned int  timestep)
inlinevirtual

Compute the forces

Parameters:
timestepCurrent value of the timestep

Implements CollectiveVariable.

Scalar getCurrentValue ( unsigned int  timestep)
inlinevirtual

Returns the current value of the collective variable

Parameters:
timestepCurrent value of the timestep

Implements CollectiveVariable.


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