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janus_core/calculations/md.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -987,10 +987,10 @@ def _post_process(self) -> None:
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if not isinstance(file_names, Sequence):
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file_names = (file_names,)
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out_paths = [
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out_paths = tuple(
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self._build_filename("vaf.dat", self.param_prefix, filename=file_name)
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for file_name in file_names
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]
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)
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slice_ = (
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self.post_process_kwargs.get("vaf_start", 0),

janus_core/processing/post_process.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -165,7 +165,7 @@ def compute_vaf(
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use_velocities: bool = False,
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fft: bool = False,
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index: SliceLike = (0, None, 1),
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filter_atoms: MaybeSequence[MaybeSequence[int | str | None]] = ((None),),
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filter_atoms: MaybeSequence[MaybeSequence[int | str | None]] = ((None,),),
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time_step: float = 1.0,
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) -> tuple[NDArray[float64], list[NDArray[float64]]]:
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"""

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