//////////////////////////////////////////////////////////////////////////////// // // 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