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