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Update structuretoolkit/analyse/spatial.py
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Co-authored-by: Marvin Poul <[email protected]>
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samwaseda and pmrv authored Aug 8, 2023
1 parent 55425c7 commit b6b39cc
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion structuretoolkit/analyse/spatial.py
Original file line number Diff line number Diff line change
Expand Up @@ -242,7 +242,7 @@ def run_workflow(self, positions=None, steps=-1):
if positions is None:
positions = self.initial_positions.copy()
for ii, ww in enumerate(self.workflow):
positions = ww["f"](positions=positions, **ww["args"])
positions = ww["f"](positions=positions, **ww["kwargs"])
if ii == steps:
return positions
return positions
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