Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

DISEX

Used for the COSMO method (see EPS). In units of mean segment diameter, n.nn is the distance up to which the interactions of two segments is calculated as the sum of fine grid interactions. The default value is 2.0.

DISEX should not be altered unless there are problems with precision (note: precision applies to the mathematics, and not to the accuracy.) To increase the precision given by DISEX, set DISEX to a smaller number. If, after running a job with DISEX set smaller, e.g. DISEX=1.8, the results have changed significantly, then reduce DISEX again, and re-run the job.