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

Classes

struct  BondPotential
 Represents a bond potential between two particles. More...
 

Enumerations

enum class  BondType : std::size_t {
  None = 0 , Fixed = 1 , Harmonic = 2 , CoreShellSpring = 3 ,
  Morse = 4 , LJ_12_6 = 5 , LennardJones = 6 , Buckingham = 7 ,
  RestrainedHarmonic = 8 , Quartic = 9 , CFF_Quartic = 10 , MM3 = 11
}
 Enumeration of different bond types. More...
 

Variables

const std::size_t maximumNumberOfBondParameters {4}
 Maximum number of parameters allowed for bond potentials.
 

Files

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