15 lines
594 B
C
15 lines
594 B
C
#include "vec.h"
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#include "smat.h"
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#include "mat.h"
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#include "sparsemat.h"
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#include "nonclass.h"
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//Davidson diagonalization of real symmetric matrix
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//matrix can be any class which has nrows(), ncols(), diagonalof() and NRVec::gemv() available
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//does not even have to be explicitly stored - direct CI
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//n<0 highest eigenvalues, n>0 lowest eigenvalues
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export template <typename T, typename Matrix>
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extern void davidson(const Matrix &bigmat, NRVec<T> *eivecs /*input-output*/, NRVec<T> &eivals, int nroots=1, const double accur=1e-6, int nits=50, const int ndvdmx = 500, const bool incore=1);
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