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Bug #2558

gmx polystat mis-uses nmol

Added by Mark Abraham over 2 years ago. Updated over 2 years ago.

Status:
Rejected
Priority:
Normal
Assignee:
Category:
analysis tools
Target version:
Affected version - extra info:
most of them
Affected version:
Difficulty:
uncategorized
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Description

nmol is actually the number of entries in the molind array, which is one more than the number of molecules. Some of the uses of nmol are thus wrong by one.

History

#1 Updated by Mark Abraham over 2 years ago

  • Status changed from New to Rejected

Ah no, nmol wasn't being postincremented after a loop. BlockRanges will do a better job of this in master

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