Commit 82efc9bc by Francois Gygi

Jacobi-Davidson option


git-svn-id: http://qboxcode.org/svn/qb/trunk@726 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 3bdd77e3
......@@ -15,7 +15,7 @@
// SampleStepper.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: SampleStepper.h,v 1.13 2008-09-08 15:56:19 fgygi Exp $
// $Id: SampleStepper.h,v 1.14 2009-09-08 05:38:31 fgygi Exp $
#ifndef SAMPLESTEPPER_H
#define SAMPLESTEPPER_H
......@@ -48,6 +48,7 @@ class SampleStepper
virtual void step(int niter) = 0;
void print_stress(void);
void compute_sigma(void); // compute kinetic contribution to stress
virtual void initialize_density() {}
SampleStepper(Sample& s);
virtual ~SampleStepper(void);
......
......@@ -15,7 +15,7 @@
// WfDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: WfDyn.h,v 1.8 2008-09-08 15:56:19 fgygi Exp $
// $Id: WfDyn.h,v 1.9 2009-09-08 05:38:31 fgygi Exp $
#ifndef WFDYN_H
#define WFDYN_H
......@@ -48,29 +48,15 @@ class WfDyn : public Var
string v = argv[1];
if ( !( v == "LOCKED" || v == "SD" || v == "PSD" ||
v == "PSDA" || v == "MD" ) )
v == "PSDA" || v == "JD" || v == "MD" ) )
{
if ( ui->onpe0() )
cout << " wf_dyn must be in [LOCKED,SD,PSD,PSDA,MD]" << endl;
cout << " wf_dyn must be in [LOCKED,SD,PSD,PSDA,JD,MD]" << endl;
return 1;
}
s->ctrl.wf_dyn = v;
// if ( v == "MD" )
// {
// if ( s->wfv == 0 )
// {
// s->wfv = new Wavefunction(s->wf);
// s->wfv->clear();
// }
// }
// else
// {
// delete s->wfv;
// s->wfv = 0;
// }
return 0;
}
......
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