11#include <pscf/chem/SolventDescriptor.h>
12#include <pspc/solvers/Propagator.h>
15 template <
int D>
class Mesh;
113 #ifndef PSPC_SOLVENT_TPP
Description of a regular grid of points in a periodic domain.
Field of real double precision values on an FFT mesh.
Solver and descriptor for a solvent species.
void compute(RField< D > const &wField, double phiTot=1.0)
Compute monomer concentration field, q and phi and/or mu.
RField< D > const & cField() const
Get the monomer concentration field for this solvent.
void setDiscretization(Mesh< D > const &mesh)
Set association with Mesh and allocate concentration field array.
Descriptor for a solvent species.
double size_
Size of this block = volume / monomer reference volume.
double size() const
Get the size (number of monomers) in this solvent.
int monomerId() const
Get the monomer type id.
int monomerId_
Identifier for the associated monomer type.
double phi() const
Get the overall volume fraction for this species.
Ensemble ensemble_
Statistical ensemble for this species (open or closed).
Ensemble ensemble()
Get the statistical ensemble for this species (open or closed).
double phi_
Volume fraction, set by either setPhi or compute function.
double mu_
Chemical potential, set by either setPhi or compute function.
double q_
Partition function, set by compute function.
double mu() const
Get the chemical potential for this species (units kT=1).
double q() const
Get the molecular partition function for this species.
C++ namespace for polymer self-consistent field theory (PSCF).
Utility classes for scientific computation.