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complex davidson - compilable but not tested yet

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Jiri Pittner
2022-06-08 21:22:01 +02:00
parent 3ea56da8d5
commit 12585b0bd3
3 changed files with 34 additions and 8 deletions
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18
nonclass.cc
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@@ -1301,6 +1301,24 @@ void gdiagonalize(NRMat<double> &a, NRVec< std::complex<double> > &w,
}
//for compatibility in davidson
void gdiagonalize(NRMat<std::complex<double> > &a, NRVec<double> &wr, NRVec<double> &wi,
NRMat<std::complex<double> > *vl, NRMat<std::complex<double> > *vr, const bool corder, int n, const int sorttype, const int biorthonormalize,
NRMat<std::complex<double> > *b, NRVec<std::complex<double> > *beta)
{
if(wr.size()!=wi.size()) laerror("length mismatch in gdiagonalize");
NRVec<std::complex<double> > w(wr.size());
gdiagonalize(a,w,vl,vr,corder,n,sorttype,biorthonormalize,b,beta);
wr.copyonwrite();
wi.copyonwrite();
for(int i=0; i<w.size(); ++i)
{
wr[i]=w[i].real();
wi[i]=w[i].imag();
}
}
template<>
const NRMat<double> realpart<NRMat< std::complex<double> > >(const NRMat< std::complex<double> > &a)
{