EpiCenters.h File Reference

#include "Matter.h"
#include <vector>

Go to the source code of this file.

Namespaces
namespace	eonc
	RAII resource manager for the ARTn C library with global synchronization.
namespace	eonc::EpiCenters

Functions
long	eonc::EpiCenters::cnaEpiCenter (const Matter *matter, double neighborCutoff)
long	eonc::EpiCenters::minCoordinatedEpiCenter (const Matter *matter, double neighborCutoff)
long	eonc::EpiCenters::lastAtom (const Matter *matter)
long	eonc::EpiCenters::randomFreeAtomEpiCenter (const Matter *matter)
long	eonc::EpiCenters::listedAtomEpiCenter (const Matter *matter, const std::vector< long > &atomList)
void	eonc::EpiCenters::cna (long *cna, const Matter *matter, double neighborCutoff)
void	eonc::EpiCenters::coordination (long *coordinationVal, const Matter *matter, double neighborCutoff)
void	eonc::EpiCenters::coordinationLessOrEqual (bool *result, long coordinationMaxVal, const Matter *matter, double neighborCutoff)
long	eonc::EpiCenters::minCoordination (const Matter *matter, double neighborCutoff)

Variables
const char	eonc::EpiCenters::DISP_LOAD [] = "load"
const char	eonc::EpiCenters::DISP_NOT_FCC_OR_HCP [] = "not_fcc_hcp_coordinated"
const char	eonc::EpiCenters::DISP_MIN_COORDINATED [] = "least_coordinated"
const char	eonc::EpiCenters::DISP_LAST_ATOM [] = "last_atom"
const char	eonc::EpiCenters::DISP_RANDOM [] = "random"
const char	eonc::EpiCenters::DISP_LISTED_ATOMS [] = "listed_atoms"