Keyword category:

Annealing

GAUSSIAN

GAUSSIAN — Use a Gaussian, rather than uniform, random number generator for geometry displacement.

Usage

GAUSSIAN

Description

By default, a uniform random number generator is used to generate the length of displacements needed in the simulated annealing Metropolis step. GAUSSIAN forces the use of a Gaussian random number generator instead of the uniform generator. Gaussian is better than uniform to preserve the ergodicity at low temperatures. Other uses of random numbers in simulated annealing are not affected by this keyword.

Abbreviation:

GAUSS

Requires:

ANNEAL, GANNEAL, TSANNEAL, or MANNEAL.

Required by:

none

Default value:

none