FIX: Improve sampling of ZPF points for constrained equilibria #211
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Define the radius of points as the closest point + some additional distance to ensure that that's always at least one point in the subsampling
bocklund
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Define the radius of points allowed in the sampling for constrained equilibria as the distance to the closest point + some additional distance to ensure that that's always at least one point in the sample.
This fixes the assertion failures when trying to get ZPF data for the constrained equilibrium calculations that could arise when the sampled points were not close enough to (within the tolerance of) the prescribed phase composition.