OESmirnoffNonBond

Attention

PRELIMINARY-IMAGE This is a preliminary API until Spring 2021 and may be improved based on user feedback. It is currently available in C++ and Python.

class OESmirnoffNonBond : public OENonBondBase

The OESmirnoffNonBond is a class that defines non bond interactions of the SMIRNOFF force fields (see SMIRNOFF)..

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 OENonBondBase:
The following classes derive from this class:

Constructors

OESmirnoffNonBond(const OEFFParams&, const OENonBondIntcsOption&) = default;
OESmirnoffNonBond(const OESmirnoffNonBond&) = default;

Constructor and copy constructor.

Assignment operator

OESmirnoffNonBond& operator=(const OESmirnoffNonBond&) = default;

Assignment operator.