Searched refs:pairPotentialsAndGrad (Results 1 – 2 of 2) sorted by relevance
165 { pairPotentialsAndGrad(&ener); in update()191 pairPotentialsAndGrad(&ener); in update()205 pairPotentialsAndGrad(0, &forcesPairPot, computeStress ? &E_RRT : 0); in ionicEnergyAndGrad()223 pairPotentialsAndGrad(0, &forcesPairPot, computeStress ? &E_RRT : 0); in ionicEnergyAndGrad()505 void IonInfo::pairPotentialsAndGrad(Energies* ener, IonicGradient* forces, matrix3<>* E_RRT) const in pairPotentialsAndGrad() function in IonInfo
135 …void pairPotentialsAndGrad(class Energies* ener=0, IonicGradient* forces=0, matrix3<>* E_RRT=0) co…