QCSubDomain.cpp File Reference

#include <iomanip>
#include <vector>
#include "QCSubDomain.hpp"
#include "QCTable.hpp"
#include "QCMndoParam.hpp"
#include "QCAm1Param.hpp"
#include "QCPm3Param.hpp"

Include dependency graph for QCSubDomain.cpp:

Go to the source code of this file.

Functions

ostream & operator<< (ostream &out, const QCSubDomain &domain)
 QCPARAMETER_METH_EXPL_INST (void QCSubDomain::computeBFactor)
 QCPARAMETER_METH_EXPL_INST (void QCSubDomain::initWeightedDensity)
 QCPARAMETER_METH_EXPL_INST (void QCSubDomain::setSystemNumbers)
 QCPARAMETER_METH_EXPL_INST_PARAM (QCFloat QCSubDomain::traceProductCoreShell1, TWO_PARAMS(QCSymMatrix &QCRestrict, QCSymMatrix &QCRestrict))
 QCPARAMETER_METH_EXPL_INST_PARAM (void QCSubDomain::fillDensityArray, TWO_PARAMS(QCFloat *QCRestrict &, bool))


Function Documentation

ostream& operator<< ostream &  out,
const QCSubDomain domain
 

Definition at line 611 of file QCSubDomain.cpp.

References QCCommon::domainZones, QCSubDomain::getGlobalIdx(), QCSubDomain::getId(), QCSubDomain::getNbAOCoreShell1(), QCSubDomain::getNbAOShell2(), QCSubDomain::getNbAtomCoreShell1(), QCSystem::getNbAtomicOrbitals(), QCAtoms::getNbAtoms(), QCSubDomain::getNbAtomShell2(), QCSystem::getNbElectrons(), QCAtoms::getPointAt(), QCSubDomain::getRemoteIdx(), QCSystem::getSpinMultiplicity(), QCSystem::getSystemCharge(), QCAtoms::getType(), QCSubDomain::getZone(), QCSubDomain::globalIdx, IND_MAP_CELL, IND_MAP_HEAD, LOCAL_IND_IDX, NB_OVRLP_IDX, NB_SHARED_ATOM_IDX, QCSubDomain::overlapMap, OVRLP_MAP_HEAD, REMOTE_IND_IDX, REMOTE_ZONE_IDX, SBD_ID_IDX, and table.

Here is the call graph for this function:

QCPARAMETER_METH_EXPL_INST void QCSubDomain::computeBFactor   ) 
 

QCPARAMETER_METH_EXPL_INST void QCSubDomain::initWeightedDensity   ) 
 

QCPARAMETER_METH_EXPL_INST void QCSubDomain::setSystemNumbers   ) 
 

Explicit instanciations

QCPARAMETER_METH_EXPL_INST_PARAM QCFloat QCSubDomain::traceProductCoreShell1  ,
TWO_PARAMS(QCSymMatrix &QCRestrict, QCSymMatrix &QCRestrict) 
 

QCPARAMETER_METH_EXPL_INST_PARAM void QCSubDomain::fillDensityArray  ,
TWO_PARAMS(QCFloat *QCRestrict &, bool) 
 


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