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Searched refs:NeedSigma (Results 1 – 5 of 5) sorted by relevance

/dports/science/iboview/ibo-view.20150427/src/MicroScf/
H A DCtDftFunc.cpp62 NeedSigma; member
76 assert(!NeedTau || NeedSigma); // tau only supported if sigma is also given. in nInputLength()
78 if (NeedSigma) return 2 + 3; // rhoc, rhoo, sigmacc, sigmaco, sigmaoo in nInputLength()
86 NeedSigma = false; in FXcFunctionalImpl()
95 NeedSigma = true; in FXcFunctionalImpl()
161 bool FXcFunctional::NeedSigma() const in NeedSigma() function in ct::FXcFunctional
163 return p->NeedSigma; in NeedSigma()
173 return NeedSigma()? 1 : 0; in nOrder()
228 uint nVar = pRef->NeedSigma()? 5 : 2; in main_xc_func_test()
H A DCtDft.cpp98 NeedSigma = pXcFunctional->NeedSigma(), in DFTFUN_CXX() local
100 if ( NeedSigma ) in DFTFUN_CXX()
105 assert(NeedSigma || !NeedTau); // tau implies sigma. in DFTFUN_CXX()
120 if ( NeedSigma ) { in DFTFUN_CXX()
141 if ( NeedSigma ) { in DFTFUN_CXX()
H A DCtDfti.h81 bool NeedSigma() const { return pXcFn->NeedSigma(); } in NeedSigma() function
H A DCtDftFunc.h43 bool NeedSigma() const; // GGA?
H A DCtDfti.cpp555 nDiff = Args.pXcFn->NeedSigma() ? 1 : 0; in FDftiJob()