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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Public Attributes | List of all members
NeighborSearch Class Reference

#include <neighbor_search.h>

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Public Member Functions

 NeighborSearch ()=default
 
 ~NeighborSearch ()=default
 
void init (const IAtomProvider &ucell, double sr, int mpi_rank)
 
void build_neighbors ()
 
InputAtoms ucell_to_input_atoms (const IAtomProvider &ucell)
 
void Check_Expand_Condition (const IAtomProvider &ucell)
 
void setMemberVariables (const IAtomProvider &ucell)
 
NeighborListget_neighbor_list ()
 
double distance (double position_x, double position_y, double position_z, double x_low, double y_low, double z_low)
 
void decompose (int mpi_size, int &nx, int &ny, int &nz)
 

Public Attributes

double search_radius
 
int x
 
int y
 
int z
 
double wide_x
 
double wide_y
 
double wide_z
 
int glayerX
 
int glayerY
 
int glayerZ
 
int glayerX_minus
 
int glayerY_minus
 
int glayerZ_minus
 
std::vector< NeighborAtomall_atoms
 
std::vector< NeighborAtominside_atoms
 
std::vector< NeighborAtomghost_atoms
 
NeighborList neighbor_list
 
BinManager bin_manager
 

Constructor & Destructor Documentation

◆ NeighborSearch()

NeighborSearch::NeighborSearch ( )
default

◆ ~NeighborSearch()

NeighborSearch::~NeighborSearch ( )
default

Member Function Documentation

◆ build_neighbors()

void NeighborSearch::build_neighbors ( )
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◆ Check_Expand_Condition()

void NeighborSearch::Check_Expand_Condition ( const IAtomProvider ucell)
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◆ decompose()

void NeighborSearch::decompose ( int  mpi_size,
int &  nx,
int &  ny,
int &  nz 
)
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◆ distance()

double NeighborSearch::distance ( double  position_x,
double  position_y,
double  position_z,
double  x_low,
double  y_low,
double  z_low 
)
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◆ get_neighbor_list()

NeighborList & NeighborSearch::get_neighbor_list ( )
inline
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◆ init()

void NeighborSearch::init ( const IAtomProvider ucell,
double  sr,
int  mpi_rank 
)
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◆ setMemberVariables()

void NeighborSearch::setMemberVariables ( const IAtomProvider ucell)
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◆ ucell_to_input_atoms()

InputAtoms NeighborSearch::ucell_to_input_atoms ( const IAtomProvider ucell)
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Member Data Documentation

◆ all_atoms

std::vector<NeighborAtom> NeighborSearch::all_atoms

◆ bin_manager

BinManager NeighborSearch::bin_manager

◆ ghost_atoms

std::vector<NeighborAtom> NeighborSearch::ghost_atoms

◆ glayerX

int NeighborSearch::glayerX

◆ glayerX_minus

int NeighborSearch::glayerX_minus

◆ glayerY

int NeighborSearch::glayerY

◆ glayerY_minus

int NeighborSearch::glayerY_minus

◆ glayerZ

int NeighborSearch::glayerZ

◆ glayerZ_minus

int NeighborSearch::glayerZ_minus

◆ inside_atoms

std::vector<NeighborAtom> NeighborSearch::inside_atoms

◆ neighbor_list

NeighborList NeighborSearch::neighbor_list

◆ search_radius

double NeighborSearch::search_radius

◆ wide_x

double NeighborSearch::wide_x

◆ wide_y

double NeighborSearch::wide_y

◆ wide_z

double NeighborSearch::wide_z

◆ x

int NeighborSearch::x

◆ y

int NeighborSearch::y

◆ z

int NeighborSearch::z

The documentation for this class was generated from the following files: