Bonds schema
A full description of the overall Bonds model.
Required Keys
- The following properties are required for the Bonds specification.
Key Name
Description
Field Type
connectivity
Particle indices or names e.g. types for each bond and the bond order: (index1, index2, order).
array[array]
form
Name or form of the potential. See cls.supported_potentials() for available potentials.
string
lengths
Equilibrium bond lengths. Default unit is Angstroms.
array[number]
params
Specific force field parameters model.
object
Optional Keys
- The following keys are optional for the Bonds specification.
Key Name
Description
Field Type
lengths_units
Equilibrium bond lengths unit.
string