PSCF v1.4.0

Explicit Euler-Maruyama Brownian dynamics step. More...

#include <ExplicitBdStep.h>

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

Public Member Functions

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

Protected Member Functions

 ExplicitBdStep (typename T::BdSimulator &simulator)
 Constructor.

Detailed Description

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

Explicit Euler-Maruyama Brownian dynamics step.

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

Template parameters:

See also
Manual Page

Definition at line 35 of file fts/brownian/ExplicitBdStep.h.

Constructor & Destructor Documentation

◆ ExplicitBdStep()

template<int D, class T>
Pscf::Rp::ExplicitBdStep< D, T >::ExplicitBdStep ( typename T::BdSimulator & simulator)
protected

Constructor.

Parameters
simulatorparent BdSimulator object

Definition at line 24 of file ExplicitBdStep.tpp.

References Util::ParamComposite::setClassName().

Member Function Documentation

◆ readParameters()

template<int D, class T>
void Pscf::Rp::ExplicitBdStep< D, T >::readParameters ( std::istream & in)
override

Read body of parameter file block.

Parameters
ininput parameter stream

Definition at line 36 of file ExplicitBdStep.tpp.

References Util::ParamComposite::read().

◆ setup()

template<int D, class T>
void Pscf::Rp::ExplicitBdStep< D, T >::setup ( )
override

Setup before simulation.

Definition at line 54 of file ExplicitBdStep.tpp.

◆ step()

template<int D, class T>
bool Pscf::Rp::ExplicitBdStep< D, T >::step ( )
override

Take a single Brownian dynamics step.

Returns
true iff the compressor converged, false otherwise

Definition at line 72 of file ExplicitBdStep.tpp.

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


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