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@ -36,7 +36,7 @@ parser.add_option('--no-volume','-v',
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dest = 'volume',
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action = 'store_false',
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help = 'omit volume mismatch')
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parser.set_defaults(coords = 'ipinitialcoord',
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parser.set_defaults(coords = 'pos',
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defgrad = 'f',
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shape = True,
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volume = True,
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