Name
CRUDE — Use crude rejection scheme.
Description
When using geometrical constraints, such as
PEN1 and
PEN2, generating
geometries during the Metropolis walk that satisfy these criteria can be slow. The “skewed
rebounds” technique was developed to avoid this problem by allowing the geometrical constrains
to drive the Metropolis walk rather than hindering it. “Skewed rebounds” is now the default
for simulated annealing. CRUDE disables “skewed rebounds” and uses the old rejection scheme
instead.
