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#include <string> |
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#include "applications/dump2Xyz/Dump2XYZCmd.h" |
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#include "brains/Register.hpp" |
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#include "brains/SimCreator.hpp" |
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#include "brains/SimInfo.hpp" |
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#include "io/DumpReader.hpp" |
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#include "minimizers/MinimizerFactory.hpp" |
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#include "minimizers/MinimizerCreator.hpp" |
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#include "minimizers/PRCG.hpp" |
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#include "minimizers/SDMinimizer.hpp" |
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#include "UseTheForce/DUFF.hpp" |
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#include "UseTheForce/EAM.hpp" |
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#include "UseTheForce/ForceFieldCreator.hpp" |
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#include "utils/simError.h" |
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#include "visitors/AtomVisitor.hpp" |
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#include "visitors/CompositeVisitor.hpp" |
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int main(int argc, char* argv[]){ |
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//DUFF, WATER and LJ are merged into one force field |
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ForceFieldBuilder<DUFF> DUFFCreator("DUFF"); |
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ForceFieldBuilder<DUFF> WATERCreator("WATER"); |
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ForceFieldBuilder<DUFF> LJCreator("LJ"); |
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//in theory, EAM can also be merged |
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ForceFieldBuilder<EAM> EAMCreator("EAM"); |
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//register force fields |
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registerForceFields(); |
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gengetopt_args_info args_info; |
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std::string dumpFileName; |