RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Classes | |
struct | BendPotential |
Represents a bend potential between two particles. More... | |
Enumerations | |
enum class | BendType : std::size_t { Rigid = 0 , Fixed = 1 , Harmonic = 2 , CoreShell = 3 , Quartic = 4 , CFF_Quartic = 5 , HarmonicCosine = 6 , Cosine = 7 , Tafipolsky = 8 , MM3 = 9 , MM3_inplane = 10 } |
Enumeration of different bend types. More... | |
Variables | |
const std::size_t | maximumNumberOfBendParameters {4} |
Maximum number of parameters allowed for bend potentials. | |
Files | |
file | src/raspakit/potentials/intramolecular/bend_potential.ixx |