neighbor_list.cpp File Reference

#include "neighbor_list.h"
#include "helper.hpp"
#include <cmath>
#include <cstring>
#include <sstream>
#include <vector>

Include dependency graph for neighbor_list.cpp:

Go to the source code of this file.

Macros
#define	DIM   3
#define	TOL   1.0e-10

Functions
void	nbl_clean_content (NeighList *const nl)
void	nbl_allocate_memory (NeighList *const nl, int const numberOfCutoffs, int const numberOfParticles)
void	nbl_initialize (NeighList **const nl)
void	nbl_clean (NeighList **const nl)
int	nbl_build (NeighList *const nl, int const numberOfParticles, double const *coordinates, double const influenceDistance, int const numberOfCutoffs, double const *cutoffs, int const *needNeighbors)
int	nbl_get_neigh (void const *const dataObject, int const numberOfCutoffs, double const *const cutoffs, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)
int	nbl_create_paddings (int const numberOfParticles, double const cutoff, double const *reference_cell, double const *cell, int const *PBC, double const *reference_coordinates, double const *coordinates, const std::vector< std::string > &speciesCode, int &numberOfPaddings, std::vector< double > &reference_coordinatesOfPaddings, std::vector< double > &coordinatesOfPaddings, std::vector< std::string > &speciesCodeOfPaddings, std::vector< int > &masterOfPaddings, int referenceAndFinal)

Macro Definition Documentation

#define DIM   3

Definition at line 17 of file neighbor_list.cpp.

#define TOL   1.0e-10

Definition at line 18 of file neighbor_list.cpp.

Function Documentation

void nbl_allocate_memory	(	NeighList *const	nl,
		int const	numberOfCutoffs,
		int const	numberOfParticles
	)

Definition at line 44 of file neighbor_list.cpp.

int nbl_build	(	NeighList *const	nl,
		int const	numberOfParticles,
		double const *	coordinates,
		double const	influenceDistance,
		int const	numberOfCutoffs,
		double const *	cutoffs,
		int const *	needNeighbors
	)

Definition at line 81 of file neighbor_list.cpp.

void nbl_clean

(

NeighList **const

nl

)

Definition at line 70 of file neighbor_list.cpp.

void nbl_clean_content

(

NeighList *const

nl

)

Definition at line 21 of file neighbor_list.cpp.

int nbl_create_paddings	(	int const	numberOfParticles,
		double const	cutoff,
		double const *	reference_cell,
		double const *	cell,
		int const *	PBC,
		double const *	reference_coordinates,
		double const *	coordinates,
		const std::vector< std::string > &	speciesCode,
		int &	numberOfPaddings,
		std::vector< double > &	reference_coordinatesOfPaddings,
		std::vector< double > &	coordinatesOfPaddings,
		std::vector< std::string > &	speciesCodeOfPaddings,
		std::vector< int > &	masterOfPaddings,
		int	referenceAndFinal
	)

Definition at line 276 of file neighbor_list.cpp.

int nbl_get_neigh	(	void const *const	dataObject,
		int const	numberOfCutoffs,
		double const *const	cutoffs,
		int const	neighborListIndex,
		int const	particleNumber,
		int *const	numberOfNeighbors,
		int const **const	neighborsOfParticle
	)

Definition at line 241 of file neighbor_list.cpp.

void nbl_initialize

(

NeighList **const

nl

)

Definition at line 62 of file neighbor_list.cpp.