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#ifndef IO_FORCEFIELDOPTIONS_HPP |
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#define IO_FORCEFIELDOPTIONS_HPP |
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#include "utils/simError.h" |
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#include "types/DataHolder.hpp" |
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#include "utils/ParameterManager.hpp" |
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#include "utils/StringUtils.hpp" |
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#include "io/ParamConstraint.hpp" |
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#define __OPENMD_C |
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#include "UseTheForce/fForceOptions.h" |
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namespace OpenMD { |
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< |
class ForceFieldOptions { |
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> |
class ForceFieldOptions : public DataHolder { |
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DeclareParameter(Name, std::string); |
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DeclareParameter(vdWtype, std::string); |
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DeclareParameter(DistanceMixingRule, std::string); |
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return result; |
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} |
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void makeFortranOptions(ForceOptions & fortranForceOptions); |
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private: |
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typedef std::map<std::string, ParameterBase*> ParamMap; |
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ParamMap parameters_; |