Skip to content

Commit

Permalink
Update vasprun.py
Browse files Browse the repository at this point in the history
minor cleanup
  • Loading branch information
sudarsan-surendralal committed Sep 18, 2021
1 parent 0f09996 commit 45d6571
Showing 1 changed file with 0 additions and 2 deletions.
2 changes: 0 additions & 2 deletions pyiron_atomistics/vasp/vasprun.py
Original file line number Diff line number Diff line change
Expand Up @@ -644,8 +644,6 @@ def get_initial_structure(self):
el_list = self.vasprun_dict["atominfo"]["species_list"]
cell = self.vasprun_dict["init_structure"]["cell"]
positions = self.vasprun_dict["init_structure"]["positions"]

# print("vasprun elements", el_list)
if len(positions[positions > 1.01]) > 0:
basis = Atoms(el_list, positions=positions, cell=cell, pbc=True)
else:
Expand Down

0 comments on commit 45d6571

Please sign in to comment.