NonBonded LennardJones schema
A full description of the overall NonBonded LennardJones model.
Required Keys
- The following properties are required for the NonBonded LennardJones specification.
Key Name
Description
Field Type
epsilon
The epsilon (well depth) Lennard-Jones parameter. Default unit is kJ/mol.
array[number]
sigma
The distance at which the Lennard-Jones potential is 0. Default unit is angstroms.
array[number]
Optional Keys
- The following keys are optional for the NonBonded LennardJones specification.
Key Name
Description
Field Type
epsilon_units
Units for the Lennard-Jones epsilon (well depth) constant.
string
sigma_units
Units for the Lennard-Jones sigma constant.
string