11#include <pscf/chem/SolventDescriptor.h>
14#include <r1d/solvers/Propagator.h>
15#include <r1d/domain/Domain.h>
107 Domain const * domainPtr_;
One-dimensional spatial domain and discretization grid.
Solver and descriptor for a solvent species.
void setDiscretization(Domain const &domain)
Set association with Domain and allocate concentration field array.
Propagator::CField CField
Monomer concentration field type.
const CField & cField() const
Get monomer concentration field for this solvent.
Propagator::WField WField
Monomer chemical potential field type.
Domain const & domain() const
Return associated domain by reference.
void compute(WField const &wField)
Compute monomer concentration field, q and phi and/or mu.
Descriptor for a solvent species.
double size_
Size of this block = volume / monomer reference volume.
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 a compute function.
double mu_
Chemical potential, set by either setPhi or a compute function.
double q_
Partition function, set in subclass by a 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.
#define UTIL_ASSERT(condition)
Assertion macro suitable for debugging serial or parallel code.
PSCF package top-level namespace.
Utility classes for scientific computation.