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