diff --git a/src/PSDWavefunctionStepper.C b/src/PSDWavefunctionStepper.C index d76b156..b5d29f1 100644 --- a/src/PSDWavefunctionStepper.C +++ b/src/PSDWavefunctionStepper.C @@ -3,7 +3,7 @@ // PSDWavefunctionStepper.C // //////////////////////////////////////////////////////////////////////////////// -// $Id: PSDWavefunctionStepper.C,v 1.9 2007-10-19 17:37:06 fgygi Exp $ +// $Id: PSDWavefunctionStepper.C,v 1.10 2007-11-29 08:19:26 fgygi Exp $ #include "PSDWavefunctionStepper.h" #include "Wavefunction.h" @@ -46,8 +46,8 @@ void PSDWavefunctionStepper::update(Wavefunction& dwf) } else { - ComplexMatrix c(wf_.sd(ispin,ikp)->c()); - ComplexMatrix cp(dwf.sd(ispin,ikp)->c()); + ComplexMatrix& c = wf_.sd(ispin,ikp)->c(); + ComplexMatrix& cp = dwf.sd(ispin,ikp)->c(); ComplexMatrix a(c.context(),c.n(),c.n(),c.nb(),c.nb()); a.gemm('c','n',1.0,c,cp,0.0); // cp = cp - c * a @@ -71,7 +71,7 @@ void PSDWavefunctionStepper::update(Wavefunction& dwf) // note: double mloc length for complex indices double* c = &coeff[2*mloc*n]; const double* dc = &dcoeff[2*mloc*n]; - // loop to ngwl only since diag[i] is not defined on [0:mloc-1] + // loop to ngwl only since diag[i] is defined on [0:mloc-1] for ( int i = 0; i < ngwl; i++ ) { const double fac = diag[i];