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atomec-project / atoMEC

Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
https://atomec-project.github.io/atoMEC/
BSD 3-Clause "New" or "Revised" License
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Convergence procedure should be simplified #202

Open timcallow opened 1 year ago

timcallow commented 1 year ago

The current convergence procedure relies on the convergence of the energy, density and potential. This is somewhat overcomplicated.

The optimal convergence test is the density, it will be simpler to focus on this but keep the energy too as a sort of back-up.