Home
last modified time | relevance | path

Searched refs:pairPotentialsAndGrad (Results 1 – 2 of 2) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DIonInfo.cpp165 { 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
H A DIonInfo.h135 …void pairPotentialsAndGrad(class Energies* ener=0, IonicGradient* forces=0, matrix3<>* E_RRT=0) co…