Atom Struct Reference

Information required for pair-potential evaluations. More...

#include <Coulomb.h>

Public Member Functions
	pos (pos)
	force (force)
	atomicNumber (atomicNumber)
	sp (sp)

Public Attributes
double	Z
	charge
vector3	pos
	position in lattice coordinates (covariant)
vector3	force
	force in lattice coordinates (contravariant)
int	atomicNumber
	atomic number
int	sp
	species index for atom; used for VDW
	__pad0__: Z(Z)

Detailed Description

Information required for pair-potential evaluations.

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The documentation for this struct was generated from the following file:

• core/Coulomb.h