////////////////////////////////////////////////////////////////////////////////
//
// 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 .
//
////////////////////////////////////////////////////////////////////////////////
//
// RunCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
#ifndef RUNCMD_H
#define RUNCMD_H
#include
#include "UserInterface.h"
class Sample;
class RunCmd : public Cmd
{
private:
public:
Sample *s;
RunCmd(Sample *sample) : s(sample) {};
const char *name(void) const { return "run"; }
const char *help_msg(void) const
{
return
"\n run\n\n"
" syntax: run [-atomic_density] n [nitscf [nite]]\n\n"
" The run command runs n steps of simulation. Each step\n"
" consists of one or more (nitscf) scf steps, each consisting\n"
" of one or more (nite) electronic steps.\n"
" If the -atomic_density option is used, the initial charge\n"
" density is a sum of atomic charge densities.\n\n";
}
int action(int argc, char **argv);
};
#endif