molecule.h File Reference

#include <cmath>
#include <assert.h>
#include "realtype.h"

Go to the source code of this file.

Classes

struct  Atom
 Simple atom representation by its charge and cartesian coordinates. More...
struct  Vector3D
 A representation of Vector or point in cartesian space. More...
class  Molecule
 Representation of a molecule as a set of nuclei and total charge. More...


Generated on Mon Sep 17 14:32:57 2012 for ergo by  doxygen 1.4.7