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jiri
2005-01-31 23:08:03 +00:00
parent 46d841aabf
commit 2af0920423
12 changed files with 150 additions and 31 deletions
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davidson.h
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@@ -1,9 +1,14 @@
#include "vec.h"
#include "smat.h"
#include "mat.h"
#include "sparsemat.h"
#include "nonclass.h"
//Davidson diagonalization of real symmetric matrix
//matrix can be any class which provides nrows(), diagonalof() and operator*(const NRVec<T>) methods
//matrix can be any class which has nrows(), ncols(), diagonalof() and NRVec::gemv() available
//does not even have to be explicitly stored - direct CI
//n<0 highest eigenvalues, n>0 lowest eigenvalues
template <class T, class matrix>
extern void davidson(const matrix &a, NRVec<T> *vecs /*input-output*/, T *vals, const int n=1, const double eps=1e-10);
export template <typename T, typename Matrix>
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);