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Keyword category:

Annealing

STEP

STEP — Define maximum step size in the annealing search.

Usage

STEP=n.n

Description

This is the maximum step size in the annealing search. The default value is 2.0 Angstroms or radians. This keyword also provides an estimate of the shortest distance between the various minima of the function (see keyword STEPCV). (Default is 1.00 when GANNEAL, TSANNEAL, or MANNEAL is specified.)

Abbreviation:

none

Requires:

ANNEAL, GANNEAL, TSANNEAL, or MANNEAL

Required by:

none

Default value:

2.0 Angstroms or radians with ANNEAL; 1.0 Angstroms or radians with GANNEAL, TSANNEAL, or MANNEAL

See also:

STEPCV
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