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[pre-commit.ci] auto fixes from pre-commit.com hooks
for more information, see https://pre-commit.ci
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dpdata/plugins/lammps.py

Lines changed: 6 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -108,7 +108,9 @@ def from_system(
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register_charge(data)
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return data
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111-
def to_system(self, data, file_name: FileType, frame_idx=0, output_spins=False, **kwargs):
111+
def to_system(
112+
self, data, file_name: FileType, frame_idx=0, output_spins=False, **kwargs
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):
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"""Dump the system in lammps data format.
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Parameters
@@ -126,7 +128,9 @@ def to_system(self, data, file_name: FileType, frame_idx=0, output_spins=False,
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other parameters
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"""
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assert frame_idx < len(data["coords"])
129-
w_str = dpdata.lammps.lmp.from_system_data(data, frame_idx, output_spins=output_spins)
131+
w_str = dpdata.lammps.lmp.from_system_data(
132+
data, frame_idx, output_spins=output_spins
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)
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with open_file(file_name, "w") as fp:
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fp.write(w_str)
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