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