CalculateD2F(Index i, Index j, double r) const override | votca::csg::PotentialFunctionLJ126 | virtual |
CalculateDF(Index i, double r) const override | votca::csg::PotentialFunctionLJ126 | virtual |
CalculateF(double r) const override | votca::csg::PotentialFunctionLJ126 | virtual |
cut_off_ | votca::csg::PotentialFunction | protected |
getCutOff() const | votca::csg::PotentialFunction | inline |
getMinDist() const | votca::csg::PotentialFunction | inline |
getOptParam(Index i) const | votca::csg::PotentialFunction | inlinevirtual |
getOptParamSize() const | votca::csg::PotentialFunction | inlinevirtual |
getParam(Index i) const | votca::csg::PotentialFunction | inline |
getParamSize() const | votca::csg::PotentialFunction | inline |
lam_ | votca::csg::PotentialFunction | protected |
min_ | votca::csg::PotentialFunction | protected |
name_ | votca::csg::PotentialFunction | protected |
Params() | votca::csg::PotentialFunction | inline |
PotentialFunction(const std::string &name, Index nlam, double min, double max) | votca::csg::PotentialFunction | protected |
PotentialFunctionLJ126(const std::string &name, double min=0.0, double max=10.0) | votca::csg::PotentialFunctionLJ126 | |
SaveParam(const std::string &filename) | votca::csg::PotentialFunction | virtual |
SavePotTab(const std::string &filename, double step) | votca::csg::PotentialFunction | virtual |
SavePotTab(const std::string &filename, double step, double rmin, double rcut) | votca::csg::PotentialFunction | virtual |
setCutOffDist(double cutoff) | votca::csg::PotentialFunction | inline |
setMinDist(double min) | votca::csg::PotentialFunction | inline |
setOptParam(Index i, double val) | votca::csg::PotentialFunction | inlinevirtual |
setParam(std::string filename) | votca::csg::PotentialFunction | virtual |
setParam(const Eigen::VectorXd ¶m) | votca::csg::PotentialFunction | inline |
setParam(Index i, double val) | votca::csg::PotentialFunction | inline |
~PotentialFunction()=default | votca::csg::PotentialFunction | virtual |
~PotentialFunctionLJ126() override=default | votca::csg::PotentialFunctionLJ126 | |