there really isn't a problem with calling this compute multiple times
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@ -97,8 +97,4 @@ E: Compute coord/atom cutoff is longer than pairwise cutoff
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Cannot compute coordination at distances longer than the pair cutoff,
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since those atoms are not in the neighbor list.
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W: More than one compute coord/atom
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It is not efficient to use compute coord/atom more than once.
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*/
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