Commit 5d6e23ae by Francois Gygi

added syevx diagonalization option (not active)


git-svn-id: http://qboxcode.org/svn/qb/trunk@349 cba15fb0-1239-40c8-b417-11db7ca47a34
parent c8390f3c
......@@ -3,7 +3,7 @@
// Wavefunction.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Wavefunction.C,v 1.19 2004-12-02 22:19:52 fgygi Exp $
// $Id: Wavefunction.C,v 1.20 2005-02-04 21:58:59 fgygi Exp $
#include "Wavefunction.h"
#include "SlaterDet.h"
......@@ -607,6 +607,7 @@ void Wavefunction::diag(Wavefunction& dwf, bool eigvec)
{
DoubleMatrix z(c.context(),c.n(),c.n(),c.nb(),c.nb());
h.syev('l',w,z);
//h.syevx('l',w,z,1.e-6);
cp = c;
c.gemm('n','n',1.0,cp,z,0.0);
}
......
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