PSCF v1.3
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Intramolecular correlation analysis for LR compressors. More...
#include <IntraCorrelation.h>
Public Member Functions | |
IntraCorrelation (System< D > &system) | |
Constructor. | |
~IntraCorrelation () | |
Destructor. | |
void | computeIntraCorrelations (RField< D > &correlations) |
Compute and modify intramolecular correlations. |
Protected Member Functions | |
System< D > & | system () |
Return reference to parent system. |
Intramolecular correlation analysis for LR compressors.
Definition at line 37 of file rpc/fts/compressor/IntraCorrelation.h.
Pscf::Rpc::IntraCorrelation< D >::IntraCorrelation | ( | System< D > & | system | ) |
Constructor.
system | parent System object |
Definition at line 39 of file rpc/fts/compressor/IntraCorrelation.tpp.
References system().
Pscf::Rpc::IntraCorrelation< D >::~IntraCorrelation | ( | ) |
Destructor.
Definition at line 48 of file rpc/fts/compressor/IntraCorrelation.tpp.
void Pscf::Rpc::IntraCorrelation< D >::computeIntraCorrelations | ( | RField< D > & | correlations | ) |
Compute and modify intramolecular correlations.
correlations | k-space grid of omega values |
Definition at line 56 of file rpc/fts/compressor/IntraCorrelation.tpp.
References Util::DArray< Data >::allocate(), Pscf::MeshIterator< D >::atEnd(), Pscf::EdgeIterator::begin(), Pscf::MeshIterator< D >::begin(), Util::Array< Data >::capacity(), Pscf::Prdc::Cpu::FFT< D >::computeKMesh(), Pscf::EdgeIterator::currentEdgeId(), Pscf::Debye::db(), Pscf::Debye::dt(), Pscf::Debye::eb(), Pscf::PolymerSpecies::edge(), Pscf::Debye::et(), Pscf::PolymerModel::isThread(), Pscf::Prdc::UnitCellBase< D >::ksq(), Pscf::Monomer::kuhn(), Pscf::Edge::length(), Pscf::Rpc::Mixture< D >::monomer(), Pscf::Edge::monomerId(), Pscf::Edge::nBead(), Pscf::PolymerSpecies::nBlock(), Pscf::EdgeIterator::notEnd(), Pscf::Rpc::Mixture< D >::nPolymer(), Pscf::Rpc::Mixture< D >::nSolvent(), Pscf::Rpc::Solvent< D >::phi(), Pscf::Species::phi(), Pscf::Prdc::MixtureReal< D, PT, ST >::polymerSpecies(), Pscf::MeshIterator< D >::position(), Pscf::MeshIterator< D >::rank(), Pscf::MeshIterator< D >::setDimensions(), Pscf::Rpc::Solvent< D >::size(), Pscf::Prdc::MixtureReal< D, PT, ST >::solvent(), system(), UTIL_CHECK, and Pscf::Rpc::Mixture< D >::vMonomer().
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inlineprotected |
Return reference to parent system.
Definition at line 83 of file rpc/fts/compressor/IntraCorrelation.h.
Referenced by computeIntraCorrelations(), and IntraCorrelation().