fermisurfaces / IFermi

Fermi surface generation, analysis and visualisation.
https://fermisurfaces.github.io/IFermi/
MIT License
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Added optional arguments to plot fermi surface outside first Brillouin zone #349

Closed paulneves77 closed 1 year ago

paulneves77 commented 1 year ago

Added supercell_dim optional input to FermiSurface.from_band_structure with default of (3,3,3), so default functionality is unchanged.

Added trim_surface bool optional input to FermiSurface.from_band_structure, compute_isosurfaces, and _calculate_band_isosurfaces. Default is to trim, so default functionality is unchanged.

utf commented 1 year ago

Hi @paulneves77, thanks for submitting this.

It looks like the tests are failing because the option you added is called trim_surface but this overlaps with the function that does the trimming also called trim_surface. So you should rename the new option to something else, like trim_to_first_bz

paulneves77 commented 1 year ago

I think I have fixed the problem. The code now passes all checks.

utf commented 1 year ago

Great, thanks @paulneves77