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

Classes

struct  UreyBradleyPotential
 Represents a ureyBradley potential between two particles. More...
 

Enumerations

enum class  UreyBradleyType : std::size_t {
  Fixed = 0 , Harmonic = 1 , CoreShellSpring = 2 , Morse = 3 ,
  LJ_12_6 = 4 , LennardJones = 5 , Buckingham = 6 , RestrainedHarmonic = 7 ,
  Quartic = 8 , CFF_Quartic = 9 , MM3 = 10
}
 Enumeration of different ureyBradley types. More...
 

Variables

const std::size_t maximumNumberOfUreyBradleyParameters {4}
 Maximum number of parameters allowed for ureyBradley potentials.
 

Files

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