Pscf::Rpg::ScftThermo< D > Class Template Reference

Computes SCFT free energies. More...

#include <ScftThermo.h>

Inheritance diagram for Pscf::Rpg::ScftThermo< D >:

Public Member Functions
	ScftThermo (System< D > const &system)
	Constructor.
virtual	~ScftThermo ()=default
	Destructor.
Public Member Functions inherited from Pscf::Rp::ScftThermo< D, Types< D > >
void	compute ()
	Compute SCFT free energy density and pressure for current fields.
void	clear ()
	Clear all thermodynamic data.
bool	hasData () const
	Have free energies and pressure been computed?
double	fHelmholtz () const
	Get total Helmholtz free energy per monomer / kT.
double	fIdeal () const
	Get the ideal gas contribution to fHelmholtz.
double	fInter () const
	Get the interaction contribution to fHelmholtz.
double	fExt () const
	Get the external field contribution to fHelmholtz.
double	pressure () const
	Get the precomputed pressure times monomer volume / kT.
void	write (std::ostream &out)
	Write SCFT thermodynamic properties to a file.

Additional Inherited Members
Protected Types inherited from Pscf::Rp::ScftThermo< D, Types< D > >
using	SystemConstRefT
	Base class type name alias.
using	SystemT
	Parent System type name alias.
Protected Member Functions inherited from Pscf::Rp::ScftThermo< D, Types< D > >
	ScftThermo (SystemT const &system)
	Constructor.
	~ScftThermo ()
	Destructor.

Detailed Description

template<int D>
class Pscf::Rpg::ScftThermo< D >

Computes SCFT free energies.

Specializations of this template with D =1, 2, and 3 are derived from specializations of the base class template Rp::ScftThermo, and inherit their public interface and almost all of their source code from this base class. See the documentation for this base class template for details.

Definition at line 33 of file /scft/ScftThermo.h.

Constructor & Destructor Documentation

ScftThermo()

template<int D>

Pscf::Rpg::ScftThermo< D >::ScftThermo

(

System< D > const &

system

)

Constructor.

Parameters

system

parent System

Definition at line 28 of file ScftThermo.cu.

References ScftThermo().

Referenced by ScftThermo().

~ScftThermo()

template<int D>

virtual Pscf::Rpg::ScftThermo< D >::~ScftThermo ( )

virtualdefault

Destructor.

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

• /scft/ScftThermo.h
• ScftThermo.cu