From b77877a2201634bfca997f44995da116a0587aef Mon Sep 17 00:00:00 2001 From: Marvin Poul Date: Tue, 4 Jun 2024 12:19:44 +0200 Subject: [PATCH] Fix sphinx unit test There is a small bug in pyiron_base HDF5Content, that I will fix separately --- pyiron_atomistics/sphinx/interactive.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyiron_atomistics/sphinx/interactive.py b/pyiron_atomistics/sphinx/interactive.py index 0851800ab..ae924939c 100644 --- a/pyiron_atomistics/sphinx/interactive.py +++ b/pyiron_atomistics/sphinx/interactive.py @@ -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]