Searched refs:iongrad_grad_ (Results 1 – 1 of 1) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/ |
| H A D | BareKineticEnergy.h | 286 TinyVector<ParticleGradient_t, OHMMS_DIM> iongrad_grad_; in evaluateWithIonDerivs() local
291 iongrad_grad_[iondim].resize(Nelec); in evaluateWithIonDerivs()
306 iongrad_grad_[iondim] = 0; in evaluateWithIonDerivs()
309 iongradpsi_[iat] = psi.evalGradSource(P, ions, iat, iongrad_grad_, iongrad_lapl_); in evaluateWithIonDerivs()
321 …(Sum(iongrad_lapl_[iondim]) + Sum(term2_) + 2.0 * Dot(iongrad_grad_[iondim], P.G) + Dot(P.G, term4… in evaluateWithIonDerivs()
333 … (dlaplacian(P.G[iel], P.L[iel], iongrad_grad_[iondim][iel], iongrad_lapl_[iondim][iel], in evaluateWithIonDerivs()
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