Some refactoring of the MoveCounter struct

lumol-org / lumol

Universal extensible molecular simulation engine

http://lumol.org/

BSD 3-Clause "New" or "Revised" License

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Closed g-bauer closed 6 years ago

g-bauer commented 6 years ago

This PR adds:

some small functions to eliminate "manual tracking" of counters
fixes a small bug where acceptance was always printed (info!) as zero if no updates where performed
enhances docs and tests for MoveCounter