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VanDerWaals Member List

This is the complete list of members for VanDerWaals, including all inherited members.

energyAndGrad(std::vector< Atom > &atoms, const double scaleFac) const VanDerWaals
energyAndGrad(const std::vector< std::vector< vector3<> > > &atpos, const ScalarFieldTildeArray &Ntilde, const std::vector< int > &atomicNumber, const double scaleFac, ScalarFieldTildeArray *grad_Ntilde=0, struct IonicGradient *forces=0) const VanDerWaals
getParams(int atomicNumber, int sp) const VanDerWaals
getScaleFactor(string exCorrName, double scaleOverride=0.) const VanDerWaals
unitParticleVanDerWaalsstatic
VanDerWaals(const Everything &everything) (defined in VanDerWaals)VanDerWaals
~VanDerWaals() (defined in VanDerWaals)VanDerWaals