maxstep

maxstep [number] (optional)

default: 100 (evbopt), 200 (explore)

Maximum number of single steps within a local Levenberg-Marquardt optimization for EVB coupling terms. Usually, the default value of 100 should work. It too many steps are needed, the optimization is canceled and the last point is given as result of the local optimization.

Further, it is the maximum number of steps in each side for IRC optimizations with explore. The path is started from the TS, the resulting number of steps towards reactants and products is counted.

Needs to be part of the opt_settings section in evbopt or the opt section in explore.