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CYCLES=n

When CYCLES=n is specified, a maximum of n distinct geometry cycles are allowed. After n cycles, the calculation is stopped in the same manner as when the allowed time is exceeded. Geometry cycles are (A) cycles of optimization in EF, SIGMA, NLLSQ, and BFGS, (B) steps in a FORCE calculation, and (C) points calculated in an IRC or DRC calculation.

CYCLES is intended to be an alternative to the T=n.nn keyword, when platforms of different speeds are being used, particularly in porting. See also BIGCYCLES.



J. J. P. Stewart
Fujitsu Ltd. 2001