Thanks for your help. Now I know how to calculate the total force.<div><br></div><div>Yundi<br><br><div class="gmail_quote">On Fri, Sep 16, 2011 at 6:20 AM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">As a little more information/explanation, calculating the forces is<br>
slightly slower than not calculating them so by default they are not<br>
calculated. (Calculating the forces used to be much, much slower, but<br>
Peter managed to optimize this with a speed improvement of 10-100 some<br>
time ago.)<br>
<div><div></div><div class="h5"><br>
On Fri, Sep 16, 2011 at 8:06 AM, Stefaan Cottenier<br>
<<a href="mailto:Stefaan.Cottenier@ugent.be">Stefaan.Cottenier@ugent.be</a>> wrote:<br>
><br>
>> Why sometimes, FGL total force is not calculated?<br>
><br>
> Maybe because you did not specify the -fc convergence criterium? And in case<br>
> you did, maybe because convergence was not reached? (see the end of<br>
> case.dayfile)<br>
><br>
> Stefaan<br>
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><br>
<br>
<br>
<br>
</div></div>--<br>
Laurence Marks<br>
Department of Materials Science and Engineering<br>
MSE Rm 2036 Cook Hall<br>
2220 N Campus Drive<br>
Northwestern University<br>
Evanston, IL 60208, USA<br>
Tel: <a href="tel:%28847%29%20491-3996" value="+18474913996">(847) 491-3996</a> Fax: <a href="tel:%28847%29%20491-7820" value="+18474917820">(847) 491-7820</a><br>
email: L-marks at northwestern dot edu<br>
Web: <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>
Research is to see what everybody else has seen, and to think what<br>
nobody else has thought<br>
Albert Szent-Gyorgi<br>
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</div></div></blockquote></div><br></div>