////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or .
//
////////////////////////////////////////////////////////////////////////////////
//
// WfDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: WfDyn.h,v 1.9 2009-09-08 05:38:31 fgygi Exp $
#ifndef WFDYN_H
#define WFDYN_H
#include
#include
#include
#include
#include "Sample.h"
#include "Wavefunction.h"
#include "SlaterDet.h"
class WfDyn : public Var
{
Sample *s;
public:
const char *name ( void ) const { return "wf_dyn"; };
int set ( int argc, char **argv )
{
if ( argc != 2 )
{
if ( ui->onpe0() )
cout << " wf_dyn takes only one value" << endl;
return 1;
}
string v = argv[1];
if ( !( v == "LOCKED" || v == "SD" || v == "PSD" ||
v == "PSDA" || v == "JD" || v == "MD" ) )
{
if ( ui->onpe0() )
cout << " wf_dyn must be in [LOCKED,SD,PSD,PSDA,JD,MD]" << endl;
return 1;
}
s->ctrl.wf_dyn = v;
return 0;
}
string print (void) const
{
ostringstream st;
st.setf(ios::left,ios::adjustfield);
st << setw(10) << name() << " = ";
st.setf(ios::right,ios::adjustfield);
st << setw(10) << s->ctrl.wf_dyn;
return st.str();
}
WfDyn(Sample *sample) : s(sample) { s->ctrl.wf_dyn = "SD"; };
};
#endif