<div dir="ltr">Hi,<div><br></div><div>Better out than in, then :-D</div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Fri, Oct 9, 2015 at 9:46 PM Shirts, Michael R. (mrs5pt) <<a href="mailto:mrs5pt@eservices.virginia.edu">mrs5pt@eservices.virginia.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">You can have a quantity that is well defined in the limit of zero<br>
temperature. But again, not clear it's useful even then.<br>
<br>
Best,<br>
~~~~~~~~~~~~<br>
Michael Shirts<br>
Associate Professor<br>
Department of Chemical Engineering<br>
University of Virginia<br>
<a href="mailto:michael.shirts@virginia.edu" target="_blank">michael.shirts@virginia.edu</a><br>
(434) 243-1821<br>
<br>
<br>
<br>
On 10/9/15, 3:36 PM, "Erik Lindahl" <<a href="mailto:erik.lindahl@gmail.com" target="_blank">erik.lindahl@gmail.com</a>> wrote:<br>
<br>
>Yes, but I think we mean the same thing - since you cannot have a system<br>
>at absolute zero it¹s completely meaningless ;-)<br>
><br>
>Cheers,<br>
><br>
>Erik<br>
><br>
>> On 09 Oct 2015, at 21:27, Berk Hess <<a href="mailto:hess@kth.se" target="_blank">hess@kth.se</a>> wrote:<br>
>><br>
>> The pressure is also well defined, it simply has no or zero kinetic<br>
>>energy contribution. How useful this is is another question.<br>
>><br>
>> Cheers,<br>
>><br>
>> Berk<br>
>><br>
>> On Oct 9, 2015 9:20 PM, Erik Lindahl <<a href="mailto:erik.lindahl@gmail.com" target="_blank">erik.lindahl@gmail.com</a>> wrote:<br>
>>><br>
>>> The virial is well-defined, but not the pressure (since we do not have<br>
>>>any temperature). I¹d vote for removing it.<br>
>>><br>
>>> Cheers,<br>
>>><br>
>>> Erik<br>
>>><br>
>>>> On 09 Oct 2015, at 21:19, Mark Abraham <<a href="mailto:mark.j.abraham@gmail.com" target="_blank">mark.j.abraham@gmail.com</a>><br>
>>>>wrote:<br>
>>>><br>
>>>> Hi,<br>
>>>><br>
>>>> We compute and report the virial and pressure while doing EM. It's<br>
>>>>well defined, but is it good for anything? Can we remove it to<br>
>>>>simplify the code?<br>
>>>><br>
>>>> Mark<br>
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</blockquote></div>