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>
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Classes

class  OBGridData
 Store values for numeric grids such as orbitals or electrostatic potential. More...

Namespaces

namespace  OpenBabel

Detailed Description

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

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