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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
17 stars 12 forks source link

Defaults need overhaul #186

Closed timcallow closed 1 year ago

timcallow commented 1 year ago

The defaults used by atoMEC were set in the initial development of the code. Since then, more advanced options have been added which significantly enhance the accuracy of the code. The defaults should be updated to use the "best" options (either most accurate or efficient, depending on the circumstance).

timcallow commented 1 year ago

Closing as this was solved by PR #201