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Documentation added to the pyseqm driver, and the chemical potential functionality is modified such that it works for PYSEQM without removing any of the new LATTE functionality.

Something that might be a bit more scalable to the inclusion of external codes in the future would be to have LATTE/PYSEQM/EXTERNAL code interfaces implement their own functions for something like get_mu. For now there is just a simple branched logic within the chemical potential computation, and any parameters which are not included by both codes are transferred to keyword arguments. Works well for only a two codes, but will greatly complicate the call signature when more codes are added.

@r2stanton r2stanton merged commit e35bba7 into main May 29, 2025
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@r2stanton r2stanton deleted the docs branch May 30, 2025 02:59
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2 participants