#include <QCOrdering.hpp>
Inheritance diagram for QCOrdering:

Definition at line 38 of file QCOrdering.hpp.
Public Member Functions | |
| int | getFirstAOAt (const int i) const |
| int * | getOrderingCells (void) const |
| int | getParamIndexAt (const int i) const |
| void | setFirstAOAt (const int i, const int val) |
| void | setParamIndexAt (const int i, const int val) |
Protected Member Functions | |
| void | allocateCells (const int size) |
| QCOrdering (void) | |
| ~QCOrdering (void) | |
Protected Attributes | |
| int * | cells |
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Definition at line 70 of file QCOrdering.hpp. |
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Definition at line 78 of file QCOrdering.hpp. References cells. |
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Definition at line 88 of file QCOrdering.hpp. References cells, and ORDR_CELL_SIZE. Referenced by QCSubDomain::allocStructures(), and QCSystem::init(). |
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Definition at line 47 of file QCOrdering.hpp. References cells, FIRST_AO, and ORDR_CELL_SIZE. Referenced by QCSubDomain::computeBFactor(), QCSubDomain::fillDensityArray(), QCSubDomain::initWeightedDensity(), QCSubDomain::traceProductCoreShell1(), QCMDSystem< TPSolver >::writeDensityOnFileAscii(), QCMDSystem< TPSolver >::writeLocalDensityOnFilesAscii(), and QCMDSystem< TPSolver >::writeOrbitalPartition(). |
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Definition at line 60 of file QCOrdering.hpp. References cells. |
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Definition at line 54 of file QCOrdering.hpp. References cells, FIRST_AO, and ORDR_CELL_SIZE. Referenced by QCSystem::setSystemNumbers(), and QCSubDomain::setSystemNumbers(). |
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Mutators Definition at line 53 of file QCOrdering.hpp. References cells, ORDR_CELL_SIZE, and PARAM_IDX. Referenced by QCMDSystem< TPSolver >::addAtom(), and QCSystem::setParamIndexes(). |
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The array Definition at line 107 of file QCOrdering.hpp. Referenced by allocateCells(), QCSubDomain::copyAtomOverlpInto(), getFirstAOAt(), getOrderingCells(), getParamIndexAt(), QCSubDomain::setAtomOverlpFrom(), setFirstAOAt(), setParamIndexAt(), QCSubDomain::unsetAtomOverlp(), and ~QCOrdering(). |
1.4.4