OESmirnoffInterNonBond

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 OESmirnoffInterNonBond : public OEInterNonBondBase

The OESmirnoffInterNonBond is a class that defines non bond interactions of the SMIRNOFF intermolecular 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 methods are publicly inherited from OEInterMolFunc1:
The following classes derive from this class:

Constructors

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

Constructor and copy constructor.

Assignment operator

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

Assignment operator.