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JuliaMolSim / Molly.jl

Molecular simulation in Julia
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Bug in KineticEnergyLogger #51

Closed jrdegreeff closed 2 years ago

jrdegreeff commented 2 years ago

https://github.com/JuliaMolSim/Molly.jl/blob/16e9787371116f066361a0ea7784d9ddbef663d6/src/loggers.jl#L170

The kinetic_energy function takes only one argument—neighbors should be removed.

jgreener64 commented 2 years ago

Thanks for this, just pushed a fix and test.