Name

SIGMA — Replaced automatically with TRUSTG.

Synopsis

 SIGMA 

Description

SIGMA performed a geometry optimization to minimize the gradient using the McIver-Komornicki method. In AMPAC 7, SIGMA was depreciated but could still be accessed using OLDSIGMA. Now in AMPAC 8, SIGMA will automatically be replaced with TRUSTG before continuation of the AMPAC job. Either TRUSTG, LTRD, or TS should be used in place of SIGMA or OLDSIGMA.

Abbreviation:

none

Requires:

none

Default value:

none