Re: [h5md-user] Minor revisions before H5MD v1.0

[Peter Colberg]

Hi Felix,

On Mon, May 06, 2013 at 04:02:52PM +0200, Felix Höfling wrote:
> It is not true that the interpretation of, e.g., the observable
> "potential_energy" does not require the space dimension. It is for example
> needed when analysing the fluctuations to compute the specific heat. (See
> Allan & Tildesley, Chapter 2.5)

Thank you for the clarification, I was ignorant of the physics.

You refer to this formula, right?

\langle\delta\mathscr{V}^2\rangle_{NVT} = k_B T^2 \left(C_V - \frac{3}{2} N 
k_B\right)

Peter