OBFFCalculation Member List

This is the complete list of members for OBFFCalculation, including all inherited members.

a OBFFCalculation

b OBFFCalculation

c OBFFCalculation

Compute(bool gradients=true) OBFFCalculation [inline, virtual]

d OBFFCalculation

energy OBFFCalculation

GetEnergy() OBFFCalculation [inline, virtual]

GetGradient(OBAtom *atom) OBFFCalculation [inline, virtual]

grada OBFFCalculation

gradb OBFFCalculation

gradc OBFFCalculation

gradd OBFFCalculation

OBFFCalculation() OBFFCalculation [inline]

~OBFFCalculation() OBFFCalculation [inline, virtual]