RDKit
Open-source cheminformatics and machine learning.
|
This is the complete list of members for ForceFields::MMFF::VdWContrib, including all inherited members.
copy() const override | ForceFields::MMFF::VdWContrib | inlinevirtual |
dp_forceField | ForceFields::ForceFieldContrib | protected |
ForceFieldContrib() | ForceFields::ForceFieldContrib | inline |
ForceFieldContrib(ForceFields::ForceField *owner) | ForceFields::ForceFieldContrib | inline |
getEnergy(double *pos) const override | ForceFields::MMFF::VdWContrib | virtual |
getGrad(double *pos, double *grad) const override | ForceFields::MMFF::VdWContrib | virtual |
VdWContrib() | ForceFields::MMFF::VdWContrib | inline |
VdWContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, const MMFFVdWRijstarEps *mmffVdWConstants) | ForceFields::MMFF::VdWContrib | |
~ForceFieldContrib() | ForceFields::ForceFieldContrib | inlinevirtual |