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Searched refs:dGinv (Results 1 – 10 of 10) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DSpeciesInfo_internal.cpp54 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, complex* n) in nAugment_sub() argument
57 THREAD_halfGspaceLoop( (nAugment_calc<Nlm>)(i, iG, G, nCoeff, dGinv, nRadial, atpos, n); ) in nAugment_sub()
60 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, complex* n) in nAugment() argument
62 threadLaunch(nAugment_sub<Nlm>, iGstop-iGstart, S, G, iGstart, nCoeff, dGinv, nRadial, atpos, n); in nAugment()
65 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, complex* n) in nAugment() argument
67 SwitchTemplate_Nlm(Nlm, nAugment, (S, G, iGstart, iGstop, nCoeff, dGinv, nRadial, atpos, n) ) in nAugment()
75 uint64_t Gindex = uint64_t((iG*G).length() * dGinv); in setNagIndex_sub()
92 threadLaunch(setNagIndex_sub, nGsub, S, G, iGstart, dGinv, nagIndex); //Initialize the indices in setNagIndex()
99 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, in nAugmentGrad_sub() argument
109 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, in nAugmentGrad() argument
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H A DSpeciesInfo_internal.h142 int nCoeff; double dGinv; const double* nRadial;
146 : nCoeff(nCoeff), dGinv(dGinv), nRadial(nRadial)
156 double Gindex = q * dGinv;
165 nAugmentFunctor functor(iG*G, nCoeff, dGinv, nRadial);
181 int nCoeff, double dGinv, uint64_t* nagIndex, size_t* nagIndexPtr);
187 int nCoeff; double dGinv; const double* nRadial;
195 …: nCoeff(nCoeff), dGinv(dGinv), nRadial(nRadial), E_n(E_n), E_nRadial(E_nRadial), dotPrefac(dotPre…
206 double Gindex = q * dGinv;
225 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos,
238 nAugmentGradFunctor functor(qvec, nCoeff, dGinv, nRadial,
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H A DSpeciesInfo.cu85 int nCoeff, double dGinv, const double* nRadial, const vector3<> atpos, complex* n) in nAugment_kernel() argument
88 nAugment_calc<Nlm>(i, iG, G, nCoeff, dGinv, nRadial, atpos, n); in nAugment_kernel()
91 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, complex* n) in nAugment_gpu() argument
94 …nAugment_kernel<Nlm><<<glc.nBlocks,glc.nPerBlock>>>(zBlock, S, G, iGstart, iGstop, nCoeff, dGinv, … in nAugment_gpu()
98 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, complex* n) in nAugment_gpu() argument
100 SwitchTemplate_Nlm(Nlm, nAugment_gpu, (S, G, iGstart, iGstop, nCoeff, dGinv, nRadial, atpos, n) ) in nAugment_gpu()
106 int nCoeff, double dGinv, const double* nRadial, const vector3<> atpos, in nAugmentGrad_kernel() argument
119 …nAugmentGrad_calc<Nlm>(nagIndex[ptr], S, G, nCoeff, dGinv, nRadial, atpos, ccE_n, E_nRadialThread,… in nAugmentGrad_kernel()
132 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, in nAugmentGrad_gpu() argument
157 int nCoeff, double dGinv, const double* nRadial, const vector3<>& atpos, in nAugmentGrad_gpu() argument
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H A DSpeciesInfo_augment.cpp173 double dGinv = 1./gInfo.dGradial; in augmentDensityGrid() local
181 …callPref(nAugment)(Nlm, gInfo.S, gInfo.G, gInfo.iGstart, gInfo.iGstop, nCoeff, dGinv, nAugRadialDa… in augmentDensityGrid()
193 double dGinv = 1./gInfo.dGradial; in augmentDensityGridGrad() local
209 callPref(nAugmentGrad)(Nlm, gInfo.S, gInfo.G, nCoeff, dGinv, in augmentDensityGridGrad()
/dports/science/jdftx/jdftx-1.6.0/jdftx/core/
H A DRadialFunction.h34 double dGinv; //!< inverse sample spacing member
63 { double Gindex = G * dGinv; in operator()
68 { double Gindex = G * dGinv; in deriv()
70 else return QuinticSpline::deriv(getCoeff(), Gindex) * dGinv; in deriv()
H A DRadialFunction.cpp25 RadialFunctionG::RadialFunctionG() : dGinv(0), nCoeff(0), in RadialFunctionG()
50 void RadialFunctionG::set(const std::vector<double>& coeff, double dGinv) in set() argument
52 this->dGinv = dGinv; in set()
64 rFunc->transform(l, 1./dGinv, nSamples, *this); in updateGmax()
H A DCoulomb_internal.h234 double dGinv; //!< inverse of coefficient spacing member
239 { double t = dGinv * sqrt(kSq); in operator()
251 double t = dGinv * k; in latticeGradientPrefac()
260 …double* coeff; double dGinv; size_t nSamples, nCoeff; //quintic-spline coefficients for screened m… member
275 double t = dGinv * Gplane; in operator()
H A DScalarFieldIO.cpp185 double dGinv = 1.0/dG; in saveSphericalized() local
198 double Grel = sqrt(GGT.metric_length_squared(iG)) * dGinv; in saveSphericalized()
H A DCoulomb_ExchangeEval.cpp404 sphericalScreenedCalc.dGinv = 1.0/dG; in ExchangeEval()
472 slabCalc.dGinv = 1.0/dG; in ExchangeEval()
/dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/
H A DMolecule.cpp328 double dG = 1./s0->chargeKernel.dGinv; in checkCharge()