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/********************************************************************** |
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atom2md.cpp - OpenBabel-based conversion program to OOPSE MD file, |
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atom2md.cpp - OpenBabel-based conversion program to OpenMD MD file, |
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command-line handling. |
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Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc. |
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Some portions Copyright (C) 2004-2006 by Chris Morley |
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Some portions Copyright (C) 2008 by J. Daniel Gezelter |
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This file is part of both the OOPSE and Open Babel projects. |
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For more information, see <http://oopse.org> and <http://openbabel.sourceforge.net/> |
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This file is part of both the OpenMD and Open Babel projects. |
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For more information, see <http://openmd.net> and <http://openbabel.sourceforge.net/> |
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This program is free software; you can redistribute it and/or modify |
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it under the terms of the GNU General Public License as published by |
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case 'V': |
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{ |
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cout << program_name << ": part of OOPSE " << |
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OOPSE_VERSION_MAJOR << "." << OOPSE_VERSION_MINOR << |
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"." << OOPSE_VERSION_TINY << |
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cout << program_name << ": part of OpenMD " << |
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OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << |
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"." << OPENMD_VERSION_TINY << |
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" and Open Babel " << BABEL_VERSION << " -- " |
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<< __DATE__ << " -- " << __TIME__ << endl; |
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exit(0); |
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{ |
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clog << messageSummary << endl; |
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} |
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#ifdef _DEBUG |
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//CM keep window open |
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cout << "Press any key to finish" <<endl; |
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getch(); |
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#endif |
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– |
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return 0; |
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} |
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void usage() |
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{ |
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cout << program_name << ": part of OOPSE " << |
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OOPSE_VERSION_MAJOR << "." << OOPSE_VERSION_MINOR << "." << |
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OOPSE_VERSION_TINY << " and OpenBabel " << BABEL_VERSION << " -- " |
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cout << program_name << ": part of OpenMD " << |
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OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << "." << |
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OPENMD_VERSION_TINY << " and OpenBabel " << BABEL_VERSION << " -- " |
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<< __DATE__ << " -- " << __TIME__ << endl; |
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cout << "Usage: " << program_name |
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<< " [-i<input-type>] <name> [-o<output-type>] <name>" << endl; |
