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ENH: Add `heat_flux` to `calculators.calculator.all_properties`

Marcel requested to merge sirmarcel/ase:enh_add_heat_flux_property into master

What it says on the tin. This is mostly intended as a discussion starting point (hello @flokno). For now, adding such a key means that during MD, if calculators return this property, it at least gets saved.

In general, we should probably discuss which units and conventions to use, whether this is useful as a property, and so on.

An example implementation in, for instance, the LJ potential should also be possible, as demonstration.

Edited by Florian Knoop

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