OEGenericFF

Attention

This API is currently available in C++ and Python.

class OEGenericFF : public OEMolPotential::OEForceField

The OEGenericFF class facilitates creation of a user defined force field. The force field instance can be extended by adding internally or externally defined potential functions.

../../_images/OEGenericFF.png
The following methods are publicly inherited from OEFunc0:
The following methods are publicly inherited from OEFunc1:
The following methods are publicly inherited from OEMolFunc:
The following methods are publicly inherited from OEForceField:

Constructors

OEGenericFF()

Default and copy constructors.