Omer Markovitch wrote:
Thanks.
And what happens if later on it comes back to the cut-off + table-extension
range?
It would look up a non-random energy and force. If the code never
noticed the distance was out-of-range, it won't notice it come back into
range either.
Mark
Koby Levy research group,
Weizmann Institute of Science.
FAX: 972-77-444-7905
http://www.weizmann.ac.il/sb/faculty_pages/Levy/
On Thu, Aug 27, 2009 at 11:13, Berk Hess <[email protected]> wrote:
A interaction beyond the cut-off + table-extension will get a random energy
and force
depending on what is stored in the memory of your computer beyond the table
------------------------------------------------------------------------
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