Pscf::Rpg::SimState< D > Struct Template Reference

SimState stores the state used by an FTS simulation. More...

#include <SimState.h>

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

Additional Inherited Members
Public Member Functions inherited from Pscf::Rp::SimState< D, Prdc::Cuda::RField< D > >
void	allocate (int nMonomer, IntVec< D > const &dimensions)
	Allocate memory for stored fields.
Public Attributes inherited from Pscf::Rp::SimState< D, Prdc::Cuda::RField< D > >
DArray< Prdc::Cuda::RField< D > >	w
	Chemical potential fields, r-grid format, indexed by monomer.
DArray< Prdc::Cuda::RField< D > >	wc
	Chemical potential fields, r-grid format, indexed by eigenvector.
DArray< Prdc::Cuda::RField< D > >	cc
	Eigenvector components of c fields on a real space grid.
DArray< Prdc::Cuda::RField< D > >	dc
	Functional derivatives of the Hamiltonian on a real space grid.
double	hamiltonian
	Field theoretic Hamiltonian value (total).
double	idealHamiltonian
	Ideal gas contribution to Hamiltonian.
double	fieldHamiltonian
	Quadratic field contribution to Hamiltonian value.
double	perturbationHamiltonian
	Perturbation to Hamiltonian value (if any).
bool	needsCc
	True iff cc fields need to be saved.
bool	needsDc
	True iff dc fields need to be saved.
bool	needsHamiltonian
	True iff Hamiltonian components need to be saved.
bool	hasData
	Does this object currently store data?
bool	isAllocated
	Has memory been allocated for the fields?
Protected Member Functions inherited from Pscf::Rp::SimState< D, Prdc::Cuda::RField< D > >
	SimState ()
	Constructor.
	~SimState ()=default
	Destructor.

Detailed Description

template<int D>
struct Pscf::Rpg::SimState< D >

SimState stores the state used by an FTS simulation.

This class is used to restore the state of FTS simulation after an attempted move or step that is rejected or fails to converge.

Specializations of this template with D=1, 2, and 3 are derived from corresponding specializations of base class template Rp::SimState, and inherit their public interface and almost all of their source code from this base class.

See also

Rp::SimState

Definition at line 34 of file /fts/simulator/SimState.h.

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The documentation for this struct was generated from the following file:

• /fts/simulator/SimState.h