CASM::Monte::MCDataEquilibration Class Reference

#include <MCData.hh>

Detailed Description

Checks if a range of observations have equilibrated.

Definition at line 58 of file MCData.hh.

Public Types
typedef MCData::size_type	size_type

Public Member Functions
	MCDataEquilibration ()
	Default constructor. More...
	MCDataEquilibration (const Eigen::VectorXd &observations, double prec)
	Check if a range of observations have equilibrated. More...
bool	is_equilibrated () const
size_type	equilibration_samples () const

Private Attributes
bool	m_is_equilibrated
size_type	m_equil_samples

Member Typedef Documentation

size_type

typedef MCData::size_type CASM::Monte::MCDataEquilibration::size_type

Definition at line 60 of file MCData.hh.

Constructor & Destructor Documentation

MCDataEquilibration() [1/2]

CASM::Monte::MCDataEquilibration::MCDataEquilibration ( )

inline

Default constructor.

Definition at line 63 of file MCData.hh.

MCDataEquilibration() [2/2]

CASM::Monte::MCDataEquilibration::MCDataEquilibration	(	const Eigen::VectorXd &	observations,
		double	prec
	)

Check if a range of observations have equilibrated.

Parameters

observations	An Eigen::VectorXd of observations
prec	Desired absolute precision (<X> +/- prec)

This uses the following algorithm, based on: Van de Walle and Asta, Modelling Simul. Mater. Sci. Eng. 10 (2002) 521–538.

Partition observations into three ranges:

• equilibriation stage: [0, start1)
• first partition: [start1, start2)

• second partition: [start2, N)

  where N is observations.size(), start1 and start 2 are indices into observations such 0 <= start1 < start2 <= N, the number of elements in the first and second partition are the same (within 1).

We consider the calculation equilibrated at start1 if mean of elements in first and second partition are approximately equal to the desired precsion: (std::abs(mean1 - mean2) < prec).

Additionally, we increment start1 as much as needed to ensure that the equilibriation stage has observations on either side of the total mean.

If these conditions are met, set: m_is_equilibrated = true; m_equil_samples = start1;

If these conditions can not be met, set: m_is_equilibrated = false; m_equil_samples = N-1;

Definition at line 39 of file MCData.cc.

Member Function Documentation

equilibration_samples()

size_type CASM::Monte::MCDataEquilibration::equilibration_samples ( ) const

inline

Definition at line 70 of file MCData.hh.

is_equilibrated()

bool CASM::Monte::MCDataEquilibration::is_equilibrated ( ) const

inline

Definition at line 68 of file MCData.hh.

Member Data Documentation

m_equil_samples

size_type CASM::Monte::MCDataEquilibration::m_equil_samples

private

Definition at line 74 of file MCData.hh.

m_is_equilibrated

bool CASM::Monte::MCDataEquilibration::m_is_equilibrated

private

Definition at line 73 of file MCData.hh.

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

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/monte_carlo/MCData.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/monte_carlo/MCData.cc