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

Classes

struct  BondBendPotential
 Represents a bond_bend potential between two particles. More...
 

Enumerations

enum class  BondBendType : std::size_t {
  CVFF = 0 , CFF = 1 , MM3 = 2 , TruncatedHarmonic = 3 ,
  ScreenedHarmonic = 4 , ScreenedVessal = 5 , TruncatedVessal = 7
}
 Enumeration of different bond_bend types. More...
 

Variables

const std::size_t maximumNumberOfBondBendParameters {5}
 Maximum number of parameters allowed for bond_bend potentials.
 

Files

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