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Fix to non-unique LAMMPS molecule IDs #999

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wants to merge 3 commits into from
Closed

Fix to non-unique LAMMPS molecule IDs #999

wants to merge 3 commits into from

Commits on Jul 1, 2024

  1. Added mol ID salt to molecule hash to permit unique ID numbers for ch… 

    …emically-identical Molecules in a Topology
    @timbernat
    timbernat committed Jul 1, 2024
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  2. Added hashing of salted mol string for greatest consistency with prio… 

    …r implementation
    @timbernat
    timbernat committed Jul 1, 2024
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  3. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jul 1, 2024
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