Searched defs:energyAndGrad (Results 1 – 8 of 8) sorted by relevance
| /dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/ |
| H A D | VDWCoupling.cpp | 48 double VDWCoupling::energyAndGrad(const ScalarFieldTildeArray& Ntilde, ScalarFieldTildeArray* Phi_N… in energyAndGrad() function in VDWCoupling
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| H A D | ConvCoupling.cpp | 50 double ConvCoupling::energyAndGrad(const ScalarFieldTildeArray& Ntilde, ScalarFieldTildeArray* Phi_… in energyAndGrad() function in ConvCoupling
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| /dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/ |
| H A D | VanDerWaals.cpp | 153 double VanDerWaals::energyAndGrad(std::vector<Atom>& atoms, const double scaleFac, matrix3<>* E_RRT… in energyAndGrad() function in VanDerWaals
207 double VanDerWaals::energyAndGrad(const std::vector< std::vector< vector3<> > >& atpos, const Scala… in energyAndGrad() function in VanDerWaals
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| /dports/science/jdftx/jdftx-1.6.0/jdftx/core/ |
| H A D | CoulombPeriodic.cpp | 60 double energyAndGrad(std::vector<Atom>& atoms, matrix3<>* E_RRTptr) const in energyAndGrad() function in EwaldPeriodic
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| H A D | CoulombIsolated.cpp | 41 double energyAndGrad(std::vector<Atom>& atoms, matrix3<>* E_RRT) const in energyAndGrad() function
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| H A D | CoulombSlab.cpp | 62 double energyAndGrad(std::vector<Atom>& atoms, matrix3<>* E_RRTptr) const in energyAndGrad() function in EwaldSlab
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| H A D | CoulombWire.cpp | 174 double energyAndGrad(std::vector<Atom>& atoms, matrix3<>* E_RRTptr) const in energyAndGrad() function in EwaldWire
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| H A D | Coulomb.cpp | 250 double Coulomb::energyAndGrad(std::vector<Atom>& atoms, matrix3<>* E_RRT) const in energyAndGrad() function in Coulomb
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