IntrinsicReactionCoordinate =========================== .. currentmodule:: optking.IRCfollowing .. autoclass:: IntrinsicReactionCoordinate :show-inheritance: .. rubric:: Methods Summary .. autosummary:: ~IntrinsicReactionCoordinate.add_converged_point ~IntrinsicReactionCoordinate.calc_arc_dist_step ~IntrinsicReactionCoordinate.calc_lagrangian ~IntrinsicReactionCoordinate.calc_lagrangian_derivs ~IntrinsicReactionCoordinate.calc_line_dist_step ~IntrinsicReactionCoordinate.compute_pivot_and_guess_points ~IntrinsicReactionCoordinate.converged ~IntrinsicReactionCoordinate.dq_irc ~IntrinsicReactionCoordinate.from_dict ~IntrinsicReactionCoordinate.requires ~IntrinsicReactionCoordinate.take_step ~IntrinsicReactionCoordinate.to_dict .. rubric:: Methods Documentation .. automethod:: add_converged_point .. automethod:: calc_arc_dist_step .. automethod:: calc_lagrangian .. automethod:: calc_lagrangian_derivs .. automethod:: calc_line_dist_step .. automethod:: compute_pivot_and_guess_points .. automethod:: converged .. automethod:: dq_irc .. automethod:: from_dict .. automethod:: requires .. automethod:: take_step .. automethod:: to_dict