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fixed typo
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bowen-bd committed Dec 9, 2023
1 parent c2ef048 commit ec953df
Showing 1 changed file with 2 additions and 4 deletions.
6 changes: 2 additions & 4 deletions examples/QueryMPtrj.md
Original file line number Diff line number Diff line change
Expand Up @@ -78,8 +78,7 @@ def calc_type_equal(
# Make sure we don't include both GGA and GGA+U for the same mp_id
if main_entry.parameters['is_hubbard'] != is_hubbard:
print(f'{main_entry.entry_id}, {taskdoc.task_id} is_hubbard= {is_hubbard}')
trjdata.exception[
taskdoc.task_id] = f'is_hubbard inconsistent task is_hubbard={is_hubbard}'
trjdata.exception[taskdoc.task_id] = f'is_hubbard inconsistent task is_hubbard={is_hubbard}'
return False
elif is_hubbard == True:
# If the task is calculated with GGA+U
Expand All @@ -90,8 +89,7 @@ def calc_type_equal(
taskdoc.calcs_reversed[0].input['incar']['LDAUU'])}
if main_entry.parameters['hubbards'] != hubbards:
thermo_hubbards = main_entry.parameters['hubbards']
trjdata.exception[
taskdoc.task_id] = f'hubbards inconsistent task hubbards={hubbards}, thermo hubbards={thermo_hubbards}'
trjdata.exception[taskdoc.task_id] = f'hubbards inconsistent task hubbards={hubbards}, thermo hubbards={thermo_hubbards}'
return False
else:
# Check the energy convergence of the task wrt. the main entry
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