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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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int main(int argc,char* argv[]){ |
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// first things first, all of the initializations |
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initSimError(); // the error handler |
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srand48( 1337 ); // the random number generator. |
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< |
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std::string svnrev; |
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//convert a macro from compiler to a string in c++ |
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STR_DEFINE(svnrev, SVN_REV ); |
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std::string revision; |
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if (!svnrev.empty()) { |
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revision.assign(" Revision: " + svnrev); |
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} |
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revision.resize(19,' '); |
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#ifdef IS_MPI |
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if( worldRank == 0 ){ |
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#endif |
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" | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2010 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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OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << " Rev:" << __get_svn_version() << |
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" http://www.openmd.net |\n"<< |
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" | version " << |
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OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << revision << |
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" http://www.openmd.net |\n"<< |
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" | |\n"<< |
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" | OpenMD is an OpenScience project. All source code is available for |\n"<< |
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" | any use whatsoever under a BSD-style license. |\n"<< |
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//create simulation model |
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SimCreator creator; |
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SimInfo* info = creator.createSim(argv[1]); |
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Globals* simParams = info->getSimParams(); |
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if (simParams->haveMinimizer() && simParams->haveEnsemble()) { |
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painCave.isFatal = 1; |
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simError(); |
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} |
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< |
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> |
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> |
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if (simParams->haveMinimizer()) { |
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//create minimizer |
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Minimizer* myMinimizer = MinimizerFactory::getInstance()->createMinimizer(toUpperCopy(simParams->getMinimizer()), info); |
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return 0 ; |
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} |
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extern "C" { |
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char svnVersionString[1024]; |
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char* __get_svn_version(){ |
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int howMuchToCopy=0; |
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char *theVersion="$Revision$"; |
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howMuchToCopy=strlen(theVersion+11) - 2; |
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assert(howMuchToCopy>0); |
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memcpy(svnVersionString, theVersion+11, howMuchToCopy); |
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svnVersionString[howMuchToCopy] = '\0'; |
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return svnVersionString; |
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} |
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|
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} |
