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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 EAM_FF.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 EAM_FF.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_EAM_FF_HPP |
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#define USETHEFORCE_EAM_FF_HPP |
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#include "UseTheForce/ForceField.hpp" |
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#include "io/SectionParserManager.hpp" |
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#include "UseTheForce/ForceFieldCreator.hpp" |
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#include "io/ForceFieldOptions.hpp" |
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namespace oopse { |
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/** |
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* @class EAM_FF EAM_FF.hpp "UseTheForce/EAM_FF.hpp" |
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* @brief Embedded Atom Method Force Field Parser |
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*/ |
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class EAM_FF : public ForceField { |
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public: |
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EAM_FF(); |
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virtual void parse(const std::string& filename); |
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/** |
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* @class EAM_FF EAM_FF.hpp "UseTheForce/EAM_FF.hpp" |
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* @brief Embedded Atom Method Force Field Parser |
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*/ |
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class EAM_FF : public ForceField { |
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public: |
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EAM_FF(); |
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virtual void parse(const std::string& filename); |
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virtual double getRcutFromAtomType(AtomType* at); |
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virtual RealType getRcutFromAtomType(AtomType* at); |
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private: |
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SectionParserManager spMan_; |
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~EAM_FF(); |
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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_EAM_FF_HPP |
