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 | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+