jacob/molecule.h File Reference

#include <jacob/corepotential.h>
#include <jacob/atomutil.h>
#include <vector>
#include <string>
#include <iostream>
#include <fstream>
#include <sstream>
#include <algorithm>
#include <ctype.h>
#include <cmath>
#include <madness/tensor/tensor.h>
#include <madness/misc/misc.h>
#include <madness/world/array.h>

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Classes
class	Atom
	Abstract Atom class. More...
class	Molecule

Functions
std::ostream &	operator<< (std::ostream &s, const Atom &atom)

Function Documentation

std::ostream& operator<<	(	std::ostream &	s,
		const Atom &	atom
	)

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