EnergyCalculationConstants.hh

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#ifndef GGL_CHEM_ENERGYCALCULATION_HH_
#define GGL_CHEM_ENERGYCALCULATION_HH_

#include "ggl/chem/Molecule.hh"


namespace ggl {
namespace chem {


      /*! @brief Constants for energy calculations
       *
       */
    class EnergyCalculationConstants {

    public:

          //! The gas constant R given in unit "kcal/(mol*K)"
        static const double Gas_constant_R;

          //! The Avogardo constant N_A given in unit "1/mol"
        static const double Avogardo_constant_NA;

          //! The Boltzmann constant k_B = R / N_A, i.e. gas constant (R)
          //! divided by the Avogardo constant (N_A), given in unit "kcal/K"
        static const double Boltzmann_constant_kB;

    };

}  // namespace chem
} // namespace ggl

#endif /* GGL_CHEM_ENERGYCALCULATION_HH_ */