#include <ConvergenceScheme.h>

Public Member Functions
	ConvergenceScheme (const int num_instructions)
	Constructor. More...

virtual	~ConvergenceScheme ()
	Destructor.

int	get_number () const
	Get the number of instructions. More...

void	set_instruction (const int instruction, const int D, const double energy_conv, const int max_sweeps, const double noise_prefactor, const double davidson_rtol)
	Set an instruction. More...

void	setInstruction (const int instruction, const int D, const double energy_conv, const int max_sweeps, const double noise_prefactor)
	Set an instruction. More...

int	get_D (const int instruction) const
	Get the number of renormalized states for a particular instruction. More...

double	get_energy_conv (const int instruction) const
	Get the energy convergence threshold for a particular instruction. More...

int	get_max_sweeps (const int instruction) const
	Get the maximum number of sweeps for a particular instruction. More...

double	get_noise_prefactor (const int instruction) const
	Get the noise prefactor for a particular instruction. More...

double	get_dvdson_rtol (const int instruction) const
	Get the Davidson residual tolerance for a particular instruction. More...

Detailed Description

ConvergenceScheme class.

Author: Sebastian Wouters sebas.nosp@m.tian.nosp@m.woute.nosp@m.rs@g.nosp@m.mail..nosp@m.com

Date: November 7, 2013

The ConvergenceScheme class contains the convergence settings. This is a list of instructions, which are performed in order. Each instruction line contains the information for one particular batch of DMRG sweeps:
(1) the number of renormalized basis states to keep (D)
(2) the energy convergence threshold for energy changes per left- and right-sweep
(3) the maximum number of iterations, in case the energy changes do not drop below the threshold
(4) the noise prefactor f
(5) the Davidson residual tolerance

The noise level which is added to the Sobject is the product of
(1) f
(2) the maximum discarded weight during the last sweep
(3) a random number in the interval [-0.5,0.5]

Definition at line 41 of file ConvergenceScheme.h.

Constructor & Destructor Documentation

CheMPS2::ConvergenceScheme::ConvergenceScheme ( const int num_instructions )

Constructor.

Parameters

num_instructions the number of instructions

Definition at line 25 of file ConvergenceScheme.cpp.

Member Function Documentation

int CheMPS2::ConvergenceScheme::get_D ( const int instruction ) const

Get the number of renormalized states for a particular instruction.

Parameters

instruction the number of the instruction

Returns: the number of renormalized states for this instruction

Definition at line 67 of file ConvergenceScheme.cpp.

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double CheMPS2::ConvergenceScheme::get_dvdson_rtol ( const int instruction ) const

Get the Davidson residual tolerance for a particular instruction.

Parameters

instruction the number of the instruction

Returns: the Davidson residual tolerance for this instruction

Definition at line 75 of file ConvergenceScheme.cpp.

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double CheMPS2::ConvergenceScheme::get_energy_conv ( const int instruction ) const

Get the energy convergence threshold for a particular instruction.

Parameters

instruction the number of the instruction

Returns: the energy convergence threshold for this instruction

Definition at line 69 of file ConvergenceScheme.cpp.

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int CheMPS2::ConvergenceScheme::get_max_sweeps ( const int instruction ) const

Get the maximum number of sweeps for a particular instruction.

Parameters

instruction the number of the instruction

Returns: the maximum number of sweeps for this instruction

Definition at line 71 of file ConvergenceScheme.cpp.

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double CheMPS2::ConvergenceScheme::get_noise_prefactor ( const int instruction ) const

Get the noise prefactor for a particular instruction.

Parameters

instruction the number of the instruction

Returns: the noise prefactor for this instruction

Definition at line 73 of file ConvergenceScheme.cpp.

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int CheMPS2::ConvergenceScheme::get_number ( ) const

Get the number of instructions.

return the number of instructions

Definition at line 48 of file ConvergenceScheme.cpp.

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void CheMPS2::ConvergenceScheme::set_instruction	(	const int	instruction,
		const int	D,
		const double	energy_conv,
		const int	max_sweeps,
		const double	noise_prefactor,
		const double	davidson_rtol
	)

Set an instruction.

Parameters

instruction	the number of the instruction
D	the number of renormalized states for that instruction
energy_conv	the energy convergence threshold for that instruction
max_sweeps	the max. number of sweeps for that instruction
noise_prefactor	the noise prefactor for that instruction
davidson_rtol	the Davidson residual tolerance for that instruction

Definition at line 50 of file ConvergenceScheme.cpp.

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void CheMPS2::ConvergenceScheme::setInstruction	(	const int	instruction,
		const int	D,
		const double	energy_conv,
		const int	max_sweeps,
		const double	noise_prefactor
	)

inline

Set an instruction.

Parameters

instruction	the number of the instruction
D	the number of renormalized states for that instruction
energy_conv	the energy convergence threshold for that instruction
max_sweeps	the max. number of sweeps for that instruction
noise_prefactor	the noise prefactor for that instruction

Definition at line 71 of file ConvergenceScheme.h.

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

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation