torsion_potential Module Reference

Classes
struct	TorsionPotential
	Represents a torsion potential between two particles. More...

Enumerations
enum class	TorsionType : std::size_t {   Fixed = 0 , Harmonic = 1 , HarmonicCosine = 2 , ThreeCosine = 3 ,   RyckaertBellemans = 4 , TraPPE = 5 , TraPPE_Extended = 6 , ModifiedTraPPE = 7 ,   CVFF = 8 , CFF = 9 , CFF2 = 10 , OPLS = 11 ,   MM3 = 12 , FourierSeries = 13 , FourierSeries2 = 14 }
	Enumeration of different torsion types. More...

Variables
const std::size_t	maximumNumberOfTorsionParameters {6}
	Maximum number of parameters allowed for torsion potentials.

Files
file	src/raspakit/potentials/intramolecular/torsion_potential.ixx