Faunus::analysis::ChargeFluctuations Class Reference

#include <analysis.h>

Inheritance diagram for Faunus::analysis::ChargeFluctuations:

Collaboration diagram for Faunus::analysis::ChargeFluctuations:

Public Member Functions
	ChargeFluctuations (const json &j, const Space &spc)
Public Member Functions inherited from Faunus::analysis::Analysis
void	to_json (json &j) const
	JSON report w. statistics, output etc.
void	from_json (const json &j)
	configure from json object
void	to_disk ()
	Save data to disk (if defined) More...
void	sample ()
	Increase step count and sample. More...
int	getNumberOfSteps () const
	Number of steps.
	Analysis (const Space &spc, std::string_view name)
	Analysis (const Space &spc, std::string_view name, int sample_interval, int number_of_skipped_steps)

Additional Inherited Members
Public Attributes inherited from Faunus::analysis::Analysis
const std::string	name
	descriptive name
std::string	cite
	url, doi etc. describing the analysis
Protected Attributes inherited from Faunus::analysis::Analysis
const Space &	spc
	Instance of Space to analyse.
int	sample_interval = 0
	Steps in between each sample point (do not modify)
int	number_of_samples = 0
	counter for number of samples

Detailed Description

Todo:

atom_mean_charges could be calculated from atom_histograms

Constructor & Destructor Documentation

ChargeFluctuations()

Faunus::analysis::ChargeFluctuations::ChargeFluctuations	(	const json &	j,
		const Space &	spc
	)

Todo:

replace mol_iter with simple molid integer

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

• src/analysis.h
• src/analysis.cpp