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#include "minimizers/MinimizerFactory.hpp" |
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#include "minimizers/Minimizer.hpp" |
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#include "restraints/ThermoIntegrationForceManager.hpp" |
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#include "utils/Report.hpp" |
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#include "utils/Exception.hpp" |
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using namespace OpenMD; |
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" | / __ \\____ ___ ____ / |/ // __ \\ The Open Molecular Dynamics |\n"<< |
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" | / / / / __ \\/ _ \\/ __ \\ / /|_/ // / / / Engine (formerly OOPSE). |\n"<< |
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" | / /_/ / /_/ / __/ / / // / / // /_/ / |\n"<< |
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< |
" | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2010 by the |\n"<< |
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> |
" | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2011 by the |\n"<< |
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" | /_/ University of Notre Dame. |\n"<< |
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" | |\n"<< |
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" | version " << |
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myIntegrator->setForceManager(fman); |
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} |
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std::cerr << "About to integrate\n"; |
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myIntegrator->integrate(); |
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delete myIntegrator; |
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}else { |