MADNESS  0.10.1
Public Member Functions | Public Attributes | List of all members
Atom Class Reference

#include <mentity.h>

Public Member Functions

 Atom ()
 Default construct makes a zero charge ghost atom at origin. More...
 
 Atom (const Atom &a)
 
 Atom (double x, double y, double z, double q, unsigned int atomic_number)
 
template<typename Archive >
void serialize (Archive &ar)
 

Public Attributes

unsigned int atomic_number
 Atomic number. More...
 
double q
 Coordinates and charge in atomic units. More...
 
double x
 
double y
 
double z
 

Constructor & Destructor Documentation

◆ Atom() [1/3]

Atom::Atom ( double  x,
double  y,
double  z,
double  q,
unsigned int  atomic_number 
)
inline

◆ Atom() [2/3]

Atom::Atom ( const Atom a)
inline

◆ Atom() [3/3]

Atom::Atom ( )
inline

Default construct makes a zero charge ghost atom at origin.

Member Function Documentation

◆ serialize()

template<typename Archive >
void Atom::serialize ( Archive &  ar)
inline

References atomic_number, q, x, y, and z.

Member Data Documentation

◆ atomic_number

unsigned int Atom::atomic_number

◆ q

double Atom::q

Coordinates and charge in atomic units.

Referenced by serialize().

◆ x

double Atom::x

◆ y

double Atom::y

◆ z

double Atom::z

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