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License: MIT License
This functionality already exists in NQCDistributions by putting VelocityBoltzmann
inside a RingPolymerWrapper
, but isn't documented.
Generating a three-dimensional sampleable distribution by giving VelocityBoltzmann
a three-dimensional array as size seems more logical to me.
Make sure that the Wigner distribution samples a multidimensional system correctly.
With Julia 1.9 enabling package extensions, it should be possible to add extra methods to initialise a VelocityBoltzmann
distribution using an NQCD simulation, e.g. VelocityBoltzmann(300u"K", simulation)
, using it to determine the atomic masses and total degrees of freedom to sample.
This would be useful in many cases where a DynamicalDistribution
with a single Velocity Boltzmann distribution should affect all atoms in a system.
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