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Add frozen atoms handling to DynamicalDistribution #15

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@Alexsp32 Alexsp32 commented Oct 2, 2024

Fix for NQCD/NQCDynamics.jl#244. DynamicalDistributions can be provided indices of frozen atoms, which they will provide zero velocity for, regardless of the velocity input provided.

NQCDynamics.jl updated with a constructor that takes a Simulation struct to provide size and frozen atoms information: NQCD/NQCDynamics.jl#332

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