12#include <prdc/cuda/RField.h>
13#include <util/containers/DArray.h>
109 #ifndef RPG_SIM_STATE_TPP
An IntVec<D, T> is a D-component vector of elements of integer type T.
Dynamically allocatable contiguous array template.
Fields, FFTs, and utilities for periodic boundary conditions (CUDA)
SCFT and PS-FTS with real periodic fields (GPU)
PSCF package top-level namespace.
SimState stores the state used by an fts simulation.
bool needsDc
If dc fields needs to be saved.
bool isAllocated
Has memory be allocated for the w field?
double hamiltonian
Monte-Carlo Hamiltonian value.
double perturbationHamiltonian
Perturbation to Hamiltonian value (if any).
bool needsHamiltonian
If hamiltonian needs to be saved.
double fieldHamiltonian
Monte-Carlo field part contribution to Hamiltonian value.
DArray< RField< D > > cc
Eigenvector components of c fields on a real space grid.
DArray< RField< D > > wc
Chemical potential fields, r-grid format, indexed by eigenvector.
void allocate(int nMonomer, IntVec< D > const &dimensions)
Allocate memory for fields.
double idealHamiltonian
Monte-Carlo ideal gas contribution to Hamiltonian value.
DArray< RField< D > > w
Chemical potential fields, r-grid format, indexed by monomer.
DArray< RField< D > > dc
Components of functional derivatives of the Hamiltonian fields on a real space grid.
bool hasData
Is this struct being used to store data?
bool needsCc
If cc fields needs to be saved.