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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* such damages. |
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*/ |
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/** |
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* @file DUFF.hpp |
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* @author tlin |
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* @date 11/15/2004 |
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* @time 13:43am |
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* @version 1.0 |
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*/ |
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/** |
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* @file DUFF.hpp |
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* @author tlin |
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* @date 11/15/2004 |
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* @time 13:43am |
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* @version 1.0 |
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*/ |
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#ifndef USETHEFORCE_DUFF_HPP |
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#define USETHEFORCE_DUFF_HPP |
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#include "UseTheForce/ForceFieldCreator.hpp" |
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namespace oopse { |
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/** |
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* @class DUFF DUFF.hpp "UseTheForce/DUFF.hpp" |
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* @brief Dipole United Atom Force Field Parser |
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*/ |
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class DUFF : public ForceField { |
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public: |
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DUFF(); |
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virtual void parse(const std::string& filename); |
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~DUFF(); |
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/** |
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* @class DUFF DUFF.hpp "UseTheForce/DUFF.hpp" |
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* @brief Dipole United Atom Force Field Parser |
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*/ |
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class DUFF : public ForceField { |
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public: |
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DUFF(); |
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virtual void parse(const std::string& filename); |
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~DUFF(); |
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private: |
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SectionParserManager spMan_; |
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private: |
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SectionParserManager spMan_; |
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}; |
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}; |
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} //end namespace oopse |
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#endif //USETHEFORCE_DUFF_HPP |