#include <record_pair_dist_histogram.h>

Inheritance diagram for mcpele::RecordPairDistHistogram< BOXDIM >:

Public Member Functions
	RecordPairDistHistogram (pele::Array< double > boxvector, const size_t nr_bins, const size_t eqsteps, const size_t record_every)
virtual	~RecordPairDistHistogram ()
virtual void	action (pele::Array< double > &coords, double energy, bool accepted, MC *mc)
size_t	get_eqsteps () const
pele::Array< double >	get_hist_r () const
pele::Array< double >	get_hist_gr (const double number_density, const size_t nr_particles) const

Detailed Description

template<size_t BOXDIM>
class mcpele::RecordPairDistHistogram< BOXDIM >

Record pair-distance distribution (radial distribution function) Templated on boxdimension, should work fine with pele::periodic_distance Input parameters: --- boxvector: defines the (periodic) simlation box --- nr_bins: number of bins for g(r) histogram --- eqsteps: number of equilibration steps to be excluded from g(r) computation --- record_every: after more than eqsteps steps have been done, record every record_everyth step Everytime the action is called, it accumulates the present configuration into the same g(r) histogram. The action function calls add_configuration which accumulates the current configuration into the g(r) histogram. The g(r) histogram can be read out at any point after that. To read out the data, two functions are used: --- get_hist_r() gives the r value array for the g(r) histogram --- get_hist_gr() gives the corresponding g(r) value array, normalized using the input number of particles and number density (Admittedly number density could have been reconstructed independently of that input.)

Definition at line 27 of file record_pair_dist_histogram.h.

Constructor & Destructor Documentation

template<size_t BOXDIM>

mcpele::RecordPairDistHistogram< BOXDIM >::RecordPairDistHistogram	(	pele::Array< double >	boxvector,
		const size_t	nr_bins,
		const size_t	eqsteps,
		const size_t	record_every
	)		`[inline]`

Definition at line 33 of file record_pair_dist_histogram.h.

template<size_t BOXDIM>

virtual mcpele::RecordPairDistHistogram< BOXDIM >::~RecordPairDistHistogram ( ) [inline, virtual]

Definition at line 38 of file record_pair_dist_histogram.h.

Member Function Documentation

template<size_t BOXDIM>

virtual void mcpele::RecordPairDistHistogram< BOXDIM >::action	(	pele::Array< double > &	coords,
		double	energy,
		bool	accepted,
		MC *	mc
	)		`[inline, virtual]`