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reverse order of thermo processing
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shyamd committed Jul 10, 2021
1 parent b930660 commit fbd13a8
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion emmet-builders/emmet/builders/vasp/thermo.py
Original file line number Diff line number Diff line change
Expand Up @@ -115,7 +115,9 @@ def get_items(self) -> Iterator[List[Dict]]:

# Yield the chemical systems in order of increasing size
# Will build them in a similar manner to fast Pourbaix
for chemsys in sorted(to_process_chemsys, key=lambda x: len(x.split("-"))):
for chemsys in sorted(
to_process_chemsys, key=lambda x: len(x.split("-")), reverse=True
):
entries = self.get_entries(chemsys)
yield entries

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