Searched refs:KErollover (Results 1 – 6 of 6) sorted by relevance
/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/ |
H A D | BandMinimizer.cpp | 42 { double KErollover = 2.*KEq/(qnum.weight*eInfo.nBands); in compute() local 48 precond_inv_kinetic(*Kgrad, KErollover); //apply precondition in place in compute()
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H A D | ColumnBundleOperators.cu | 66 …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()
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H A D | ColumnBundleOperators_internal.h | 55 …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()
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H A D | ColumnBundleOperators.cpp | 371 …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()
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H A D | ColumnBundle.h | 155 void precond_inv_kinetic(ColumnBundle &Y, double KErollover);
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H A D | ElecVars.cpp | 421 double KErollover = 2. * (Nq>1e-3 ? KEq/Nq : 1.); in elecEnergyAndGrad() local 422 precond_inv_kinetic(HC[q], KErollover); //apply preconditioner in elecEnergyAndGrad()
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