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| From: | Felix Höfling |
| Subject: | Re: [h5md-user] Volume |
| Date: | Wed, 06 Nov 2013 16:41:32 +0100 |
| User-agent: | Opera Mail/12.15 (Linux) |
Hi everyone, Looking at the thermodynamics module, I notice that the variable "volume" is obligatory. That raises the question of what to do for systems that have no volume, because they are unbounded in at least one dimension. One possible answer is "don't claim to use the thermodynamics module", but I wonder if that's really the intention. Konrad.
When I put this in the module draft, I briefly thought about this. My conclusion was that thermodynamics in an unbounded volume is not well defined. Although there are certainly extensions around to cope with this case, e.g., to describe supernovae explosions ...
The motivation for making the volume obligatory was to guarantee the conversion between extensive, per-particle, and per-volume quantities. I have no strong opinion about that, we may move it back to the optional elements (and replace it by "density" being an intensive variable?)
Felix
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