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Merge pull request #180 from MolarVerse/fix/uninitialised-batch-buffers
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Merge pull request #180 from MolarVerse/fix/uninitialised-batch-buffers
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Merge pull request #180 from MolarVerse/fix/uninitialised-batch-buffers
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Merge pull request #179 from MolarVerse/fix/element-from-atomic-number
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Merge pull request #179 from MolarVerse/fix/element-from-atomic-number
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Merge pull request #179 from MolarVerse/fix/element-from-atomic-number
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fix: repair test_ratio splitting and trajectory writing in NEPWriter
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fix: repair test_ratio splitting and trajectory writing in NEPWriter
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fix: keep the constructor topology in TrajectoryReader.read
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fix: validate box lengths and angles on Cell construction
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fix: resolve abbreviated root options in lazy CLI dispatch
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fix: read the log file env var when checking for the off value
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fix: make the progress flag match its help text
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fix: register -n and --n-molecules as separate option strings
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