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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.


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