RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
|
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 |