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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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Allow convergence after two SCF cycles #205

Closed timcallow closed 1 year ago

timcallow commented 1 year ago

The current convergence criteria are a bit too strict, since often calculations have converged after 2 scf runs. This changes the minimum scf cycles from 4 to 2.

timcallow commented 1 year ago

Merging despite failed tests, they are due to another issue