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Fix sphinx unit test
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There is a small bug in pyiron_base HDF5Content, that I will fix separately
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pmrv committed Jun 9, 2024
1 parent a551838 commit b77877a
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion pyiron_atomistics/sphinx/interactive.py
Original file line number Diff line number Diff line change
Expand Up @@ -383,7 +383,7 @@ def check_band_occupancy(self, plot=True):
[elec_dict[k] for k in self._job.structure.get_chemical_symbols()]
)
n_elec = int(np.ceil(n_elec / 2))
bands = self._job.content["output/generic/dft/bands_occ"][-1]
bands = self._job.content["output/generic/dft"]["bands_occ"][-1]
bands = bands.reshape(-1, bands.shape[-1])
max_occ = np.sum(~np.isclose(bands, 0), axis=-1).max()
n_bands = bands.shape[-1]
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