griddata.h File Reference

OBGenericData class to connect numeric grids (e.g., orbitals, electrostatic potential) to molecules. More...

#include <openbabel/babelconfig.h>
#include <openbabel/base.h>
#include <openbabel/math/vector3.h>
#include <vector>

Go to the source code of this file.

Classes
class	OBGridData
	Store values for numeric grids such as orbitals or electrostatic potential. More...
Namespaces
namespace	OpenBabel

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Detailed Description

OBGenericData class to connect numeric grids (e.g., orbitals, electrostatic potential) to molecules.