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Searched refs:QuinticSpline (Results 1 – 8 of 8) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/core/
H A DRadialFunction.h65 else return QuinticSpline::value(getCoeff(), Gindex); in operator()
70 else return QuinticSpline::deriv(getCoeff(), Gindex) * dGinv; in deriv()
H A DSpline.h32 namespace QuinticSpline
65 namespace QuinticSpline
H A DCoulomb_internal.h166 { double f = QuinticSpline::value(coeff.data(), drhoInv * rho); in value()
171 { double fp = QuinticSpline::deriv(coeff.data(), drhoInv * rho) * drhoInv; in deriv()
241 else return QuinticSpline::value(coeff, t); in operator()
253 else return QuinticSpline::deriv(coeff, t) * (-t/kSq); in latticeGradientPrefac()
277 if(t<nSamples) Vc += prefac * QuinticSpline::value(coeffPlane, t); in operator()
H A DSpline.cpp22 namespace QuinticSpline namespace
H A DRadialFunction.cpp47 { set(QuinticSpline::getCoeff(samples, l%2==1), 1./dG); in init()
H A DCoulomb_ExchangeEval.cpp402 sphericalScreenedCoeff = ManagedArray<double>(QuinticSpline::getCoeff(samples)); in ExchangeEval()
467 { coeffSub = QuinticSpline::getCoeff(samples[iAxis]); //coefficients for a given iAxis in ExchangeEval()
H A DCoulombWire.cpp119 coeff = QuinticSpline::getCoeff(x); in Cbar_k_sigma()
/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DSpeciesInfo_internal.h158 n += phase * Ylm<lm>(qhat) * QuinticSpline::value(nRadial+lm*nCoeff, Gindex);
210 QuinticSpline::valueGrad(dotPrefac * term.real(), E_nRadial+lm*nCoeff, Gindex);
212 { double n = QuinticSpline::value(nRadial+lm*nCoeff, Gindex);
215 { double nPrime = QuinticSpline::deriv(nRadial+lm*nCoeff, Gindex) * dGinv;