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Return dictionary of results instead of wrapper instance
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smcolby committed May 22, 2024
1 parent d159d99 commit 0dc0f7f
Showing 1 changed file with 1 addition and 3 deletions.
4 changes: 1 addition & 3 deletions isicle/md.py
Original file line number Diff line number Diff line change
Expand Up @@ -724,9 +724,7 @@ def run(self, geom, **kwargs):
self.submit()

# Finish/clean up
self.finish()

return self
return self.finish()


class TINKERWrapper(Geometry, WrapperInterface):
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