11#include <prdc/solvers/MixtureReal.h>
39 using typename MixtureRealT::MixtureTmplT;
40 using typename MixtureRealT::PolymerT;
41 using typename MixtureRealT::SolventT;
42 using typename MixtureRealT::BlockT;
43 using typename MixtureRealT::PropagatorT;
44 using typename MixtureRealT::FieldT;
45 using typename MixtureRealT::FFTT;
46 using typename MixtureRealT::WaveListT;
50 using MixtureRealT::readParameters;
51 using MixtureRealT::associate;
52 using MixtureRealT::allocate;
53 using MixtureRealT::clearUnitCellData;
54 using MixtureRealT::setKuhn;
55 using MixtureRealT::compute;
56 using MixtureRealT::computeStress;
57 using MixtureRealT::hasStress;
58 using MixtureRealT::createBlockCRGrid;
75 using MixtureRealT::mesh;
76 using MixtureRealT::ds;
86 void eqS(
FieldT& A,
double s)
const override;
99 void allocateBlocks()
override;
111 extern template class MixtureReal<1, Rpc::Polymer<1>,
Rpc::Solvent<1> >;
112 extern template class MixtureReal<2, Rpc::Polymer<2>,
Rpc::Solvent<2> >;
113 extern template class MixtureReal<3, Rpc::Polymer<3>,
Rpc::Solvent<3> >;
int nPolymer() const
Get number of polymer species.
Monomer const & monomer(int id) const
Get a Monomer type descriptor by const reference.
int nMonomer() const
Get number of monomer types.
int nBlock() const
Get total number blocks among all polymer species.
int nSolvent() const
Get number of solvent (point particle) species.
double vMonomer() const
Get monomer reference volume (set to 1.0 by default).
bool isCanonical() const
Is this mixture being treated in canonical ensemble?
SolventT & solvent(int id)
PolymerSpecies const & polymerSpecies(int id) const final
PolymerT & polymer(int id)
SolventSpecies const & solventSpecies(int id) const final
Solver and descriptor for a mixture of polymers and solvents.
typename PropagatorT::FieldT FieldT
Solver and descriptor for a mixture of polymers and solvents.
typename Prdc::MixtureReal< D, Polymer< D >, Solvent< D > > MixtureRealT
Direct (parent) base class.
Solver and descriptor for a solvent species.
Periodic fields and crystallography.
Real periodic fields, SCFT and PS-FTS (CPU).
PSCF package top-level namespace.