Simulation Control and Node Management

Commands that control the flow of the simulation and manage the engine’s nodes.

Command Name	Description
@	Manage operations related to the current node.
@COORDS	Go to point in code after atomic coordinates have been updated.
@DEFAULT	Operations related to the @DEFAULT node. The @DEFAULT node is the node that the engine goes to when launched.
@FORCES	Go to point in code after forces have been calculated.
@INIT_MC	Initialize a Monte Carlo simulation.
@INIT_MD	Initialize a Molecular Dynamics simulation.
@INIT_OPTG	Initialize a geometry optimization.
@PRE-FORCES	Go to point in code where forces have been partially calcualted.
EXIT	Exit the engine.