OEVdwPotential¶
Attention
This API is currently available in C++ and Python.
class OEVdwPotential : public virtual OENonBondPotBase
The OEVdwPotential
class defines an interface
for calculation of intra-molecular VdW force field
interaction potentials.
- The following methods are publicly inherited from
OEFunc0
: - The following methods are publicly inherited from
OEFunc1
: - The following methods are publicly inherited from
OEFunc2
: - The following methods are publicly inherited from
OEMolFunc
: - The following methods are publicly inherited from
OEFFPotential
: - The following methods are publicly inherited from
OENonBondPotBase
:
Constructors¶
OEVdwPotential(const OEFFParams&, const double cutoff) = default;
OEVdwPotential(const OEVdwPotential&) = default;
Constructor and copy constructor.
Assignment operator¶
OEVdwPotential& operator=(const OEVdwPotential&) = default;
Assignment operator.