votca 2024.2-dev
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votca::csg::PotentialFunctionLJ126 Member List

This is the complete list of members for votca::csg::PotentialFunctionLJ126, including all inherited members.

CalculateD2F(Index i, Index j, double r) const overridevotca::csg::PotentialFunctionLJ126virtual
CalculateDF(Index i, double r) const overridevotca::csg::PotentialFunctionLJ126virtual
CalculateF(double r) const overridevotca::csg::PotentialFunctionLJ126virtual
cut_off_votca::csg::PotentialFunctionprotected
getCutOff() constvotca::csg::PotentialFunctioninline
getMinDist() constvotca::csg::PotentialFunctioninline
getOptParam(Index i) constvotca::csg::PotentialFunctioninlinevirtual
getOptParamSize() constvotca::csg::PotentialFunctioninlinevirtual
getParam(Index i) constvotca::csg::PotentialFunctioninline
getParamSize() constvotca::csg::PotentialFunctioninline
lam_votca::csg::PotentialFunctionprotected
min_votca::csg::PotentialFunctionprotected
name_votca::csg::PotentialFunctionprotected
Params()votca::csg::PotentialFunctioninline
PotentialFunction(const std::string &name, Index nlam, double min, double max)votca::csg::PotentialFunctionprotected
PotentialFunctionLJ126(const std::string &name, double min=0.0, double max=10.0)votca::csg::PotentialFunctionLJ126
SaveParam(const std::string &filename)votca::csg::PotentialFunctionvirtual
SavePotTab(const std::string &filename, double step)votca::csg::PotentialFunctionvirtual
SavePotTab(const std::string &filename, double step, double rmin, double rcut)votca::csg::PotentialFunctionvirtual
setCutOffDist(double cutoff)votca::csg::PotentialFunctioninline
setMinDist(double min)votca::csg::PotentialFunctioninline
setOptParam(Index i, double val)votca::csg::PotentialFunctioninlinevirtual
setParam(std::string filename)votca::csg::PotentialFunctionvirtual
setParam(const Eigen::VectorXd &param)votca::csg::PotentialFunctioninline
setParam(Index i, double val)votca::csg::PotentialFunctioninline
~PotentialFunction()=defaultvotca::csg::PotentialFunctionvirtual
~PotentialFunctionLJ126() override=defaultvotca::csg::PotentialFunctionLJ126