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Add warning about MPI use in LDOS aligner
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mala/datahandling/ldos_aligner.py

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@@ -134,6 +134,9 @@ def align_ldos_to_ref(
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comm = get_comm()
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rank = comm.rank
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size = comm.size
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import sys
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print(
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"[mala.LDOSAligner.align_ldos_to_ref] Warning: MPI support is experimental. Use with caution.")
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else:
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comm = None
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rank = 0

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