ForceFields::UFF::TorsionAngleContrib Member List
This is the complete list of members for
ForceFields::UFF::TorsionAngleContrib, including all inherited members.
| dp_forceField | ForceFields::ForceFieldContrib | [protected] |
| ForceFieldContrib() | ForceFields::ForceFieldContrib | [inline] |
| getEnergy(double *pos) const | ForceFields::UFF::TorsionAngleContrib | [virtual] |
| getGrad(double *pos, double *grad) const | 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] |
