#include <cmath>
#include <iosfwd>
#include <string>
#include "mpqc/math/external/eigen/eigen.h"
#include "mpqc/util/keyval/keyval.h"

Include dependency graph for atom.h:

This graph shows which files directly or indirectly include this file:

Classes
class	mpqc::Atom
	A class which holds the basic information for an atom. More...

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

Functions
std::ostream &	mpqc::operator<< (std::ostream &os, Atom const &a)

Vector3d const &	mpqc::center (Atom const &a)
	Returns the center of the atom. More...

double	mpqc::mass (Atom const &a)
	Returns the mass of the atom. More...

int64_t	mpqc::total_atomic_number (Atom const &a)

size_t	mpqc::natoms (Atom const &a)

Vector3d const &	mpqc::center_of_mass (Atom const &a)
	Returns the center of the atom. More...

Classes

Namespaces