RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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bend_torsion_potential Module Reference

Classes

struct  BendTorsionPotential
 Represents a bend_torsion potential between two particles. More...
 

Enumerations

enum class  BendTorsionType : std::size_t {
  Smoothed = 0 , SmoothedThreeCosine = 1 , Nicholas = 2 , CFF = 3 ,
  SmoothedCFF = 4 , SmoothedCFF2 = 5 , SmoothedCFF3 = 6 , CVFF = 7
}
 Enumeration of different bend_torsion types. More...
 

Variables

const std::size_t maximumNumberOfBendTorsionParameters {4}
 Maximum number of parameters allowed for bend_torsion potentials.
 

Files

file  src/raspakit/potentials/intramolecular/bend_torsion_potential.ixx