Params.h File Reference

#include <string>
#include <map>

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Classes
class	ForceFields::UFF::AtomicParams
	class to store atomic parameters for the Universal Force Field More...
class	ForceFields::UFF::ParamCollection
	singleton class for retrieving UFF AtomParams More...
Namespaces
namespace	ForceFields
namespace	ForceFields::UFF
namespace	ForceFields::UFF::Params
Variables
const double	ForceFields::UFF::Params::lambda = 0.1332
	scaling factor for rBO correction
const double	ForceFields::UFF::Params::G = 332.06
	bond force constant prefactor
const double	ForceFields::UFF::Params::amideBondOrder = 1.41
	special case bond order for amide C-N bonds.