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ForceFields::UFF::InversionContribs Member List

This is the complete list of members for ForceFields::UFF::InversionContribs, including all inherited members.

addContrib(unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, int at2AtomicNum, bool isCBoundToO, double oobForceScalingFactor=1.0) | ForceFields::UFF::InversionContribs |
copy() const override | ForceFields::UFF::InversionContribs | inline virtual
dp_forceField | ForceFields::ForceFieldContrib | protected
empty() const | ForceFields::UFF::InversionContribs | inline
ForceFieldContrib() | ForceFields::ForceFieldContrib | inline
ForceFieldContrib(ForceFields::ForceField *owner) | ForceFields::ForceFieldContrib | inline
getEnergy(double *pos) const override | ForceFields::UFF::InversionContribs | virtual
getEnergy(const RDGeom::Point3DPtrVect &positions, std::vector< double > &energies) const | ForceFields::UFF::InversionContribs |
getGrad(double *pos, double *grad) const override | ForceFields::UFF::InversionContribs | virtual
InversionContribs()=default | ForceFields::UFF::InversionContribs |
InversionContribs(ForceField *owner) | ForceFields::UFF::InversionContribs |
size() const | ForceFields::UFF::InversionContribs | inline
~ForceFieldContrib() | ForceFields::ForceFieldContrib | inline virtual
~InversionContribs() override=default | ForceFields::UFF::InversionContribs |