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janus_core/cli/md.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -384,7 +384,9 @@ def md(
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post_process_kwargs,
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]
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)
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correlation_kwargs = parse_correlation_kwargs(correlation_kwargs)
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if correlation_kwargs:
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correlation_kwargs = parse_correlation_kwargs(correlation_kwargs)
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if ensemble not in get_args(Ensembles):
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raise ValueError(f"ensemble must be in {get_args(Ensembles)}")

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