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

Predictor-corrector Brownian dynamics stepper. More...

#include <PredCorrBdStep.h>

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

Public Member Functions
void	readParameters (std::istream &in) override
	Read body of parameter file block and allocate memory.
void	setup () override
	Setup before simulation.
bool	step () override
	Take a single Brownian dynamics step.

Protected Member Functions
	PredCorrBdStep (typename T::BdSimulator &simulator)
	Constructor.

Detailed Description

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

Predictor-corrector Brownian dynamics stepper.

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

Template parameters:

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

See also

Manual Page

Definition at line 36 of file fts/brownian/PredCorrBdStep.h.

Constructor & Destructor Documentation

PredCorrBdStep()

template<int D, class T>

Pscf::Rp::PredCorrBdStep< D, T >::PredCorrBdStep ( typename T::BdSimulator & simulator )

protected

Constructor.

Parameters

simulator

parent BdSimulator object

Definition at line 23 of file PredCorrBdStep.tpp.

References Util::ParamComposite::setClassName().

Member Function Documentation

readParameters()

template<int D, class T>

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

override

Read body of parameter file block and allocate memory.

Parameters

in	input parameter file stream

Definition at line 37 of file PredCorrBdStep.tpp.

References Util::ParamComposite::read().

setup()

template<int D, class T>

void Pscf::Rp::PredCorrBdStep< D, T >::setup ( )

override

Setup before simulation.

Definition at line 64 of file PredCorrBdStep.tpp.

step()

template<int D, class T>

bool Pscf::Rp::PredCorrBdStep< D, T >::step ( )

override

Take a single Brownian dynamics step.

Returns

true if converged, false if failed to converge

Definition at line 89 of file PredCorrBdStep.tpp.

References Pscf::VecOp::addEqV(), Pscf::VecOp::addEqVc(), Pscf::VecOp::addVcVc(), Pscf::VecOp::addVcVcVc(), Pscf::VecOp::eqV(), Pscf::VecOp::subVV(), and UTIL_CHECK.

---

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

• fts/brownian/PredCorrBdStep.h
• PredCorrBdStep.tpp