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PotentialEnergyHistogram Class Reference

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List of all members.

Detailed Description

This creates a potential energy histogram.

Author:
Brian Moore, John Schneiderman

Definition at line 33 of file potentialenergyhist.h.

Public Member Functions

virtual void acquire (const Cluster &cluster)
 PotentialEnergyHistogram (const ConfigurationDatabase &conf)
virtual void write (int numAtoms, string base_name)


Constructor & Destructor Documentation

PotentialEnergyHistogram::PotentialEnergyHistogram const ConfigurationDatabase conf  ) 
 

General constructor.

Parameters:
conf is the configuration for the potential energy histograms.

Definition at line 30 of file potentialenergyhist.cpp.

References ConfigurationDatabase::intValue(), and BaseHistogram::m_pullingInterval.

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Member Function Documentation

void PotentialEnergyHistogram::acquire const Cluster cluster  )  [virtual]
 

Take sample readings from a cluster to build a potential energy histogram.

Parameters:
cluster is the cluster to pull the information from.

Implements BaseHistogram.

Definition at line 35 of file potentialenergyhist.cpp.

References BaseHistogram::m_bins, BaseHistogram::m_histogramBin, BaseHistogram::m_max, BaseHistogram::m_min, BaseHistogram::m_numberHistogramsTaken, and Cluster::size().

Referenced by MDLJ_Simulation::run(), and MCLJ_Simulation::run().

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void PotentialEnergyHistogram::write int  numAtoms,
string  base_name
[virtual]
 

Writes out the potential energy histogram values.

Parameters:
numAtoms is the number of atoms in the cluster.
base_name is the base name for the potential energy histogram created using a file name base_name.peh

Implements BaseHistogram.

Definition at line 51 of file potentialenergyhist.cpp.

References BaseHistogram::m_bins, BaseHistogram::m_histogramBin, BaseHistogram::m_max, BaseHistogram::m_min, BaseHistogram::m_numberHistogramsTaken, and Cluster::PRECISION.

Referenced by MDLJ_Simulation::run(), and MCLJ_Simulation::run().


The documentation for this class was generated from the following files:
Generated on Tue Mar 28 23:29:09 2006 for ClusterSim by  doxygen 1.4.4