[Wien] FGL total force

[Laurence Marks]

As a little more information/explanation, calculating the forces is
slightly slower than not calculating them so by default they are not
calculated. (Calculating the forces used to be much, much slower, but
Peter managed to optimize this with a speed improvement of 10-100 some
time ago.)

On Fri, Sep 16, 2011 at 8:06 AM, Stefaan Cottenier
<Stefaan.Cottenier at ugent.be> wrote:
>
>> Why sometimes, FGL total force is not calculated?
>
> Maybe because you did not specify the -fc convergence criterium? And in case
> you did, maybe because convergence was not reached? (see the end of
> case.dayfile)
>
> Stefaan
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi