OENonBondPotential¶
Attention
This API is currently available in C++ and Python.
class OENonBondPotential : public virtual OENonBondPotBase
The OENonBondPotential
class defines an interface
for calculation of intra-molecular non-bonded (both VdW and Coulomb) 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¶
OENonBondPotential(const OEFFParams&, const OENonBondIntcsOption&)
OENonBondPotential(const OENonBondPotential&)
Constructor and copy constructor.