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Keyword category:

Annealing

FREF

FREF — Define central value of the energy range.

Usage

FREF=n.n

Description

This is the central value of the energy range ("crenel") defined for the energy window penalty. If FREF is not set or has a value of 0.0, the energy primary molecule is used for the central value. This keyword should be used in conjunction with SREF and PREF. This can be used with GANNEAL, TSANNEAL, and MANNEAL but not ANNEAL.

Abbreviation:

none

Requires:

GANNEAL, TSANNEAL, or MANNEAL.

Required by:

none

Default value:

none

See also:

SREF, PREF
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