Pscf::Rp::HamiltonianAnalyzer< D, T > Class Template Reference

Compute averages and output block averages of Hamiltonian components. More...

#include <HamiltonianAnalyzer.h>

Inheritance diagram for Pscf::Rp::HamiltonianAnalyzer< D, T >:

Public Member Functions
void	readParameters (std::istream &in) override
	Read interval and output file name.

Protected Member Functions
	HamiltonianAnalyzer (typename T::Simulator &simulator, typename T::System &system)
	Constructor.
	~HamiltonianAnalyzer ()=default
	Destructor.
void	compute () override
	Compute and store values of Hamiltonian components.

Detailed Description

template<int D, class T>
class Pscf::Rp::HamiltonianAnalyzer< D, T >

Compute averages and output block averages of Hamiltonian components.

This class computes separate averages for each component of the total simulation Hamiltonian (ideal gas contributions (lnQ) and Field contribution (HW)) as well as for the total, and periodically outputs block averages of each to a file.

Specializations of this template are used as base classes for two closely analogous class templates, also named HamiltonianAnalyzer, that are defined in the Rpc and Rpg namespaces for use in the pscf_rpc and pscf_rpg programs, respectively.

Template parameters:

• D : dimension of space
• T : Types class, Rpc::Types<D> or Rpg::Types<D>

See also

Manual Page

Definition at line 38 of file fts/analyzer/HamiltonianAnalyzer.h.

Constructor & Destructor Documentation

HamiltonianAnalyzer()

template<int D, class T>

Pscf::Rp::HamiltonianAnalyzer< D, T >::HamiltonianAnalyzer ( typename T::Simulator & simulator, typename T::System & system )

protected

Constructor.

Parameters

simulator	parent Simulator object
system	parent System object

Definition at line 23 of file HamiltonianAnalyzer.tpp.

References Util::ParamComposite::setClassName().

~HamiltonianAnalyzer()

template<int D, class T>

Pscf::Rp::HamiltonianAnalyzer< D, T >::~HamiltonianAnalyzer ( )

protecteddefault

Destructor.

Member Function Documentation

readParameters()

template<int D, class T>

void Pscf::Rp::HamiltonianAnalyzer< D, T >::readParameters ( std::istream & in )

override

Read interval and output file name.

Parameters

in	input parameter file

Definition at line 36 of file HamiltonianAnalyzer.tpp.

compute()

template<int D, class T>

void Pscf::Rp::HamiltonianAnalyzer< D, T >::compute ( )

overrideprotected

Compute and store values of Hamiltonian components.

Definition at line 53 of file HamiltonianAnalyzer.tpp.

References UTIL_CHECK.

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

• fts/analyzer/HamiltonianAnalyzer.h
• HamiltonianAnalyzer.tpp