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jiri
2005-02-04 09:58:36 +00:00
parent 0dc73dad47
commit a235d4cb98
2 changed files with 45 additions and 102 deletions
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7
davidson.h
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@@ -4,11 +4,12 @@
#include "sparsemat.h"
#include "nonclass.h"
//Davidson diagonalization of real symmetric matrix
//Davidson diagonalization of real symmetric matrix (modified Lanczos)
//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
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);
extern void davidson(const Matrix &bigmat, NRVec<T> &eivals, void *eivecs,
int nroots=1, const bool verbose=0, const double eps=1e-6,
const bool incore=1, int maxit=100, const int maxkrylov = 500);