#include <subDomain.h>
Definition at line 28 of file subDomain.h.
Public Member Functions | |
template<class TYPEOFSYSTEM> | |
bool | addAtomsFromSubdomainInOverlapAndCut (const int &localOverlapSubDomain, subDomain &domain, const TYPEOFSYSTEM &atoms, const double &R_overlap, const double &R_cut, bool use_frag) |
void | addAtomsInKernel (const setOfAtoms &atoms, bool use_frag) |
void | addIndexInCut (const int &a, const int i) |
void | addIndexInKernel (const int localNum, const int globalNum) |
void | addIndexInKernel (const int i) |
void | addIndexInOverlap (const int &a, const int i) |
void | addNeigboors (const int num) |
template<class TYPEOFSYSTEM> | |
void | buildLocalNumerotation (const TYPEOFSYSTEM &atoms, std::vector< AtomIn > *atomsInZone) |
void | computeNumberOfAtoms () |
std::vector< int > & | getAtomsIndexInCut (const int i) |
std::vector< int > & | getAtomsIndexInKernel () |
std::vector< int > & | getAtomsIndexInOverlap (const int i) |
std::vector< int > & | getAtomsIsInKernel () |
void | getCentre (double *C) const |
void | getLength (double *x) |
int * | getLocalNum () |
int | getLocalNumberOfSundomain (const int num) const |
std::vector< int > & | getNeighboorsIndex () |
int | getNumberOfAtoms () const |
int | getNumberOfAtomsInCut (const int num) const |
int | getNumberOfAtomsInCut () const |
int | getNumberOfAtomsInKernel () const |
int | getNumberOfAtomsInOverlap (const int num) const |
int | getNumberOfAtomsInOverlap () const |
int | getNumberOfNeighbor (const int i) const |
int | getNumberOfNeighbors () const |
double | getVolume () const |
double | getXLength () const |
void | getXmax (double *x) |
double & | getXmax (const int i) |
double | getXmax (const int i) const |
void | getXmin (double *x) |
double | getXmin (const int i) const |
double | getYLength () const |
double | getZLength () const |
bool | initNumberOfOverlapDomain (const int &) |
bool | initNumberOfOverlapDomain () |
int | load () const |
int & | loadInCut () |
int | loadInCut () const |
int & | loadInKernel () |
int | loadInKernel () const |
int & | loadInOverlap () |
int | loadInOverlap () const |
int & | myNumber () |
int | myNumber () const |
int | numberOfAtomsInKernel () |
void | removeNeigboors (std::vector< int > &list) |
void | resetData () |
void | setMyNumber (int num) |
void | setMyNumber (int num, const int nx, const int ny, const int nz) |
void | setNumberOfNeighbor (const int i, const int n) |
void | setXmax (const double *x) |
void | setXmin (const double *x) |
void | setXmin (const double &x) |
subDomain () | |
~subDomain () | |
Protected Attributes | |
std::vector< int > | _atomIsInKernel |
std::vector< int > * | _indexInCut |
std::vector< int > | _indexInKernel |
std::vector< int > * | _indexInOverlap |
std::vector< int > | _indexOfNeighbors |
double | _length [3] |
int | _localNum [3] |
int | _myNum |
int | _numberOfAtoms |
int | _numberOfAtomsCut |
int | _numberOfAtomsKernel |
int | _numberOfAtomsOverlap |
int | _weight [numberOfZone] |
double | _xmax [3] |
double | _xmin [3] |
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Definition at line 25 of file subDomain.cpp. References _localNum, _weight, _xmax, _xmin, Core_Zone, Cut_Zone, and Overlap_Zone. |
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Definition at line 42 of file subDomain.cpp. References _indexInCut, and _indexInOverlap. |
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Definition at line 124 of file subDomain.cpp. References _atomIsInKernel, AtomIn::_localNum, _localNum, _myNum, AtomIn::_numDomain, AtomIn::_typeZone, _xmax, _xmin, addIndexInCut(), addIndexInOverlap(), Cut_Zone, getAtomsIndexInKernel(), getAtomsIsInKernel(), getLocalNum(), getLocalNumberOfSundomain(), myNumber(), and Overlap_Zone. Referenced by BoxPartition::setAtomsInOverlapAndCut(). Here is the call graph for this function: ![]() |
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Definition at line 169 of file subDomain.h. References _indexInCut, _numberOfAtoms, and _numberOfAtomsCut. Referenced by addAtomsFromSubdomainInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::newReadFromFile(). |
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Definition at line 134 of file subDomain.h. References _indexInKernel, _numberOfAtoms, and _numberOfAtomsKernel. |
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Definition at line 132 of file subDomain.h. References _indexInKernel, _numberOfAtoms, and _numberOfAtomsKernel. Referenced by PartitionBase< TYPEOFATOMS >::newReadFromFile(), PartitionBase< TYPEOFATOMS >::oldReadFromFile(), and BoxPartition::setAtomsInKernel(). |
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Definition at line 157 of file subDomain.h. References _indexInOverlap, _numberOfAtoms, and _numberOfAtomsOverlap. Referenced by addAtomsFromSubdomainInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::newReadFromFile(). |
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Definition at line 68 of file subDomain.h. References _indexOfNeighbors. Referenced by BoxPartition::setNeigboors(), and AAPartition::setNeigboors(). |
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Definition at line 296 of file subDomain.cpp. References _indexInCut, _indexInKernel, _indexInOverlap, _indexOfNeighbors, AtomIn::_localNum, _myNum, _numberOfAtoms, _numberOfAtomsOverlap, AtomIn::_numDomain, AtomIn::_typeZone, Core_Zone, Cut_Zone, Overlap_Zone, and setLocalNum(). Here is the call graph for this function: ![]() |
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Definition at line 270 of file subDomain.cpp. References _indexInCut, _indexInKernel, _indexInOverlap, _indexOfNeighbors, _myNum, _numberOfAtoms, _numberOfAtomsCut, _numberOfAtomsKernel, and _numberOfAtomsOverlap. Referenced by BoxPartition::partitionate(), and AAPartition::partitionate(). |
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Definition at line 143 of file subDomain.h. References _atomIsInKernel. Referenced by addAtomsFromSubdomainInOverlapAndCut(), and BoxPartition::setAtomsInKernel(). |
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Definition at line 127 of file subDomain.h. Referenced by AAPartition::setNeigboors(). |
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Definition at line 112 of file subDomain.h. Referenced by BoxPartition::setAtomsInKernel(). |
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Definition at line 46 of file subDomain.h. References _localNum. Referenced by addAtomsFromSubdomainInOverlapAndCut(). |
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Definition at line 58 of file subDomain.h. References _indexOfNeighbors. Referenced by addAtomsFromSubdomainInOverlapAndCut(). |
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Definition at line 71 of file subDomain.h. References _indexOfNeighbors. |
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Definition at line 49 of file subDomain.h. References _numberOfAtoms. Referenced by PartitionBase< TYPEOFATOMS >::getAtomsIndexInPartition(), and PartitionBase< TYPEOFATOMS >::writeInFile(). |
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Definition at line 86 of file subDomain.h. References _indexInCut. |
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Definition at line 83 of file subDomain.h. References _numberOfAtomsCut. |
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Definition at line 74 of file subDomain.h. References _numberOfAtomsKernel. |
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Definition at line 80 of file subDomain.h. References _indexInOverlap. |
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Definition at line 77 of file subDomain.h. References _numberOfAtomsOverlap. |
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Definition at line 55 of file subDomain.h. References _indexOfNeighbors. Referenced by PartitionBase< TYPEOFATOMS >::newWriteInFile(), PartitionBase< TYPEOFATOMS >::setAtomsInOverlapAndCut(), BoxPartition::setAtomsInOverlapAndCut(), and PartitionBase< TYPEOFATOMS >::writeInVTKFormat(). |
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Definition at line 52 of file subDomain.h. References _indexOfNeighbors. Referenced by BoxPartition::computeBoxEquilibrateCharge(), and PartitionBase< TYPEOFATOMS >::newWriteInFile(). |
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Definition at line 124 of file subDomain.h. |
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Definition at line 115 of file subDomain.h. Referenced by BoxPartition::computeBoxEquilibrateCharge(), and BoxPartition::partitionate(). |
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Definition at line 109 of file subDomain.h. References _xmax. |
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Definition at line 100 of file subDomain.h. References _xmax. |
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Definition at line 94 of file subDomain.h. References _xmax. Referenced by BoxPartition::computeBoxEquilibrateCharge(). |
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Definition at line 106 of file subDomain.h. References _xmin. |
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Definition at line 97 of file subDomain.h. References _xmin. Referenced by BoxPartition::computeBoxEquilibrateCharge(), and BoxPartition::setAtomsInKernel(). |
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Definition at line 118 of file subDomain.h. Referenced by BoxPartition::partitionate(). |
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Definition at line 121 of file subDomain.h. Referenced by BoxPartition::partitionate(). |
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Definition at line 87 of file subDomain.cpp. References _indexInCut, _indexInOverlap, and _indexOfNeighbors. |
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Definition at line 64 of file subDomain.cpp. References _indexInCut, _indexInOverlap, and _indexOfNeighbors. Referenced by PartitionBase< TYPEOFATOMS >::newReadFromFile(), PartitionBase< TYPEOFATOMS >::oldReadFromFile(), BoxPartition::setNeigboors(), and AAPartition::setNeigboors(). |
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Definition at line 146 of file subDomain.h. References _weight, Core_Zone, Cut_Zone, and Overlap_Zone. Referenced by BoxPartition::computeBoxEquilibrateCharge(), and AAPartition::statistiques(). |
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Definition at line 178 of file subDomain.h. |
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Definition at line 175 of file subDomain.h. References _weight, and Cut_Zone. Referenced by PartitionBase< TYPEOFATOMS >::setLoad(), and AAPartition::statistiques(). |
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Definition at line 152 of file subDomain.h. |
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Definition at line 149 of file subDomain.h. References _weight, and Core_Zone. Referenced by PartitionBase< TYPEOFATOMS >::setLoad(), and AAPartition::statistiques(). |
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Definition at line 166 of file subDomain.h. References _weight, and Overlap_Zone. |
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Definition at line 163 of file subDomain.h. References _weight, and Overlap_Zone. Referenced by PartitionBase< TYPEOFATOMS >::setLoad(), and AAPartition::statistiques(). |
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Definition at line 37 of file subDomain.h. References _myNum. |
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Definition at line 34 of file subDomain.h. References _myNum. Referenced by addAtomsFromSubdomainInOverlapAndCut(). |
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Definition at line 137 of file subDomain.h. References _indexInKernel. Referenced by BoxPartition::setAtomsInKernel(). |
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Definition at line 111 of file subDomain.cpp. |
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Definition at line 51 of file subDomain.cpp. References _atomIsInKernel, _indexInCut, _indexInKernel, _indexInOverlap, _indexOfNeighbors, _numberOfAtoms, _numberOfAtomsCut, _numberOfAtomsKernel, _numberOfAtomsOverlap, _weight, Core_Zone, Cut_Zone, and Overlap_Zone. Referenced by PartitionBase< TYPEOFATOMS >::resetData(). |
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Definition at line 43 of file subDomain.h. |
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Definition at line 40 of file subDomain.h. References _localNum, and _myNum. Referenced by AAPartition::partitionate(), and BoxPartition::setNeigboors(). |
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Definition at line 65 of file subDomain.h. References _indexOfNeighbors. Referenced by PartitionBase< TYPEOFATOMS >::newReadFromFile(), and PartitionBase< TYPEOFATOMS >::oldReadFromFile(). |
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Definition at line 103 of file subDomain.h. References _xmax. Referenced by BoxPartition::computeBoxEquilibrateCharge(), BoxPartition::partitionate(), and AAPartition::setNeigboors(). |
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Definition at line 91 of file subDomain.h. References _xmin. |
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Definition at line 89 of file subDomain.h. References _xmin. Referenced by BoxPartition::computeBoxEquilibrateCharge(), BoxPartition::partitionate(), and AAPartition::setNeigboors(). |
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Definition at line 211 of file subDomain.h. Referenced by addAtomsFromSubdomainInOverlapAndCut(), getAtomsIsInKernel(), and resetData(). |
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Definition at line 216 of file subDomain.h. Referenced by addIndexInCut(), buildLocalNumerotation(), computeNumberOfAtoms(), getAtomsIndexInCut(), getNumberOfAtomsInCut(), initNumberOfOverlapDomain(), resetData(), and ~subDomain(). |
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Definition at line 210 of file subDomain.h. Referenced by addIndexInKernel(), buildLocalNumerotation(), computeNumberOfAtoms(), getAtomsIndexInKernel(), numberOfAtomsInKernel(), and resetData(). |
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Definition at line 215 of file subDomain.h. Referenced by addIndexInOverlap(), buildLocalNumerotation(), computeNumberOfAtoms(), getAtomsIndexInOverlap(), getNumberOfAtomsInOverlap(), initNumberOfOverlapDomain(), resetData(), and ~subDomain(). |
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Definition at line 209 of file subDomain.h. Referenced by addNeigboors(), buildLocalNumerotation(), computeNumberOfAtoms(), getLocalNumberOfSundomain(), getNeighboorsIndex(), getNumberOfNeighbor(), getNumberOfNeighbors(), initNumberOfOverlapDomain(), resetData(), and setNumberOfNeighbor(). |
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Definition at line 208 of file subDomain.h. |
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Definition at line 200 of file subDomain.h. Referenced by addAtomsFromSubdomainInOverlapAndCut(), getLocalNum(), setMyNumber(), and subDomain(). |
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Definition at line 199 of file subDomain.h. Referenced by addAtomsFromSubdomainInOverlapAndCut(), buildLocalNumerotation(), computeNumberOfAtoms(), myNumber(), and setMyNumber(). |
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Definition at line 201 of file subDomain.h. Referenced by addIndexInCut(), addIndexInKernel(), addIndexInOverlap(), buildLocalNumerotation(), computeNumberOfAtoms(), getNumberOfAtoms(), and resetData(). |
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Definition at line 204 of file subDomain.h. Referenced by addIndexInCut(), computeNumberOfAtoms(), getNumberOfAtomsInCut(), and resetData(). |
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Definition at line 202 of file subDomain.h. Referenced by addIndexInKernel(), computeNumberOfAtoms(), getNumberOfAtomsInKernel(), and resetData(). |
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Definition at line 203 of file subDomain.h. Referenced by addIndexInOverlap(), buildLocalNumerotation(), computeNumberOfAtoms(), getNumberOfAtomsInOverlap(), and resetData(). |
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Definition at line 205 of file subDomain.h. Referenced by load(), loadInCut(), loadInKernel(), loadInOverlap(), resetData(), and subDomain(). |
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Definition at line 207 of file subDomain.h. Referenced by addAtomsFromSubdomainInOverlapAndCut(), getCentre(), getLength(), getVolume(), getXLength(), getXmax(), getYLength(), getZLength(), setXmax(), and subDomain(). |
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Definition at line 206 of file subDomain.h. Referenced by addAtomsFromSubdomainInOverlapAndCut(), getCentre(), getLength(), getVolume(), getXLength(), getXmin(), getYLength(), getZLength(), setXmin(), and subDomain(). |