GGA implementation for sqrt grid

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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Closed timcallow closed 1 year ago

timcallow commented 1 year ago

Currently the sqrt grid cannot be used with GGA functionals. At the very least a warning should be raised.

timcallow commented 1 year ago

Fixed by #197