PotentialEnergyHistogram Class Reference

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Detailed Description

This creates a potential energy histogram.

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)

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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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

1.4.4


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