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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Mar 16, 2023
1 parent 73e473e commit 90c7ee3
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Showing 5 changed files with 5 additions and 5 deletions.
2 changes: 1 addition & 1 deletion aiida_lammps/calculations/lammps/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -101,7 +101,7 @@ def define(cls, spec):
valid_type=str,
default=cls._DEFAULT_RESTART_FILENAME,
)
spec.inputs['metadata']['options']['parser_name'].default = cls._DEFAULT_PARSER
spec.inputs["metadata"]["options"]["parser_name"].default = cls._DEFAULT_PARSER

spec.output(
"results",
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2 changes: 1 addition & 1 deletion aiida_lammps/calculations/lammps/force.py
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ class ForceCalculation(BaseLammpsCalculation):
def define(cls, spec):
super().define(spec)

spec.inputs['metadata']['options']['parser_name'].default = "lammps.force"
spec.inputs["metadata"]["options"]["parser_name"].default = "lammps.force"

spec.output(
"arrays",
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2 changes: 1 addition & 1 deletion aiida_lammps/calculations/lammps/md.py
Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,7 @@ class MdCalculation(BaseLammpsCalculation):
def define(cls, spec):
super().define(spec)

spec.inputs['metadata']['options']['parser_name'].default = "lammps.md"
spec.inputs["metadata"]["options"]["parser_name"].default = "lammps.md"
spec.default_output_port = "results"

spec.output(
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2 changes: 1 addition & 1 deletion aiida_lammps/calculations/lammps/md_multi.py
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ class MdMultiCalculation(BaseLammpsCalculation):
def define(cls, spec):
super().define(spec)

spec.inputs['metadata']['options']['parser_name'].default = "lammps.md.multi"
spec.inputs["metadata"]["options"]["parser_name"].default = "lammps.md.multi"
spec.default_output_port = "results"

spec.output_namespace(
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2 changes: 1 addition & 1 deletion aiida_lammps/calculations/lammps/optimize.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ class OptimizeCalculation(BaseLammpsCalculation):
def define(cls, spec):
super().define(spec)

spec.inputs['metadata']['options']['parser_name'].default = "lammps.optimize"
spec.inputs["metadata"]["options"]["parser_name"].default = "lammps.optimize"

spec.output(
"structure",
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