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Update pyiron_atomistics/sphinx/base.py
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Co-authored-by: Sam Dareska <37879103+samwaseda@users.noreply.github.com>
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skatnagallu and samwaseda committed Apr 17, 2024
1 parent e518927 commit fdad2f4
Showing 1 changed file with 0 additions and 2 deletions.
2 changes: 0 additions & 2 deletions pyiron_atomistics/sphinx/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -2148,8 +2148,6 @@ def get_last(arr):
self.generic.positions = np.array([self._job.structure.positions])
if "cells" not in self.generic.list_nodes() and "cell" in self.generic.list_nodes():
self.generic.cells = self.generic.cell
self.generic.cells = np.tile(np.array([self._job.structure.cell.tolist()]),
(len(self.generic.dft.energy_free),1,1))
self.generic.to_hdf(hdf=hdf)

with hdf.open("output") as hdf5_output:
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