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Searched refs:KErollover (Results 1 – 6 of 6) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DBandMinimizer.cpp42 { double KErollover = 2.*KEq/(qnum.weight*eInfo.nBands); in compute() local
48 precond_inv_kinetic(*Kgrad, KErollover); //apply precondition in place in compute()
H A DColumnBundleOperators.cu66 …double KErollover, const matrix3<> GGT, const vector3<int>* iGarr, const vector3<> k, double invde… in precond_inv_kinetic_kernel() argument
68 if(j<nbasis) precond_inv_kinetic_calc(j, nbasis, ncols, Y, KErollover, GGT, iGarr, k, invdetR); in precond_inv_kinetic_kernel()
71 …double KErollover, const matrix3<> GGT, const vector3<int>* iGarr, const vector3<> k, double invde… in precond_inv_kinetic_gpu() argument
73 …precond_inv_kinetic_kernel<<<glc.nBlocks,glc.nPerBlock>>>(nbasis, ncols, Y, KErollover, GGT, iGarr… in precond_inv_kinetic_gpu()
H A DColumnBundleOperators_internal.h55 …double KErollover, const matrix3<> GGT, const vector3<int>* iGarr, const vector3<> k, double invde… in precond_inv_kinetic_calc() argument
57 double x = 0.5*GGT.metric_length_squared(iGarr[j]+k)/KErollover; in precond_inv_kinetic_calc()
H A DColumnBundleOperators.cpp371 …double KErollover, const matrix3<>& GGT, const vector3<int>* iGarr, const vector3<> k, double invd… in precond_inv_kinetic() argument
373 …threadedLoop(precond_inv_kinetic_calc, nbasis, nbasis, ncols, Ydata, KErollover, GGT, iGarr, k, in… in precond_inv_kinetic()
377 …double KErollover, const matrix3<> GGT, const vector3<int>* iGarr, const vector3<> k, double invde…
379 void precond_inv_kinetic(ColumnBundle &Y, double KErollover) in precond_inv_kinetic() argument
385 KErollover, GGT, basis.iGarr.dataPref(), Y.qnum->k, 1./basis.gInfo->detR); in precond_inv_kinetic()
H A DColumnBundle.h155 void precond_inv_kinetic(ColumnBundle &Y, double KErollover);
H A DElecVars.cpp421 double KErollover = 2. * (Nq>1e-3 ? KEq/Nq : 1.); in elecEnergyAndGrad() local
422 precond_inv_kinetic(HC[q], KErollover); //apply preconditioner in elecEnergyAndGrad()