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ForceFields::UFF::TorsionAngleContrib Member List

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

copy() const override | ForceFields::UFF::TorsionAngleContrib | inline virtual
dp_forceField | ForceFields::ForceFieldContrib | protected
ForceFieldContrib() | ForceFields::ForceFieldContrib | inline
ForceFieldContrib(ForceFields::ForceField *owner) | ForceFields::ForceFieldContrib | inline
getEnergy(double *pos) const override | ForceFields::UFF::TorsionAngleContrib | virtual
getGrad(double *pos, double *grad) const override | ForceFields::UFF::TorsionAngleContrib | virtual
scaleForceConstant(unsigned int count) | ForceFields::UFF::TorsionAngleContrib | inline
TorsionAngleContrib() | ForceFields::UFF::TorsionAngleContrib | inline
TorsionAngleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, double bondOrder23, int atNum2, int atNum3, RDKit::Atom::HybridizationType hyb2, RDKit::Atom::HybridizationType hyb3, const AtomicParams *at2Params, const AtomicParams *at3Params, bool endAtomIsSP2=false) | ForceFields::UFF::TorsionAngleContrib |
~ForceFieldContrib() | ForceFields::ForceFieldContrib | inline virtual