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602: Fix FCC Paracrystal Lattice Parameter Calculation #603

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merged 2 commits into from
Jul 17, 2024

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krzywon
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@krzywon krzywon commented Jul 11, 2024

As noted in #602, the FCC Paracrystal model lattice parameter (d_a) chould be calculated by multiplying the nearest neighbor distance (dnn) by sqrt(2), not dividing by it. This fixes that issue.

Note - this model will need a new unit test since it is failing.

Values given by Jonathan Gaudet. Note that more robuts testing would be useful and should be added in the future.
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I know I made the second set of changes, but I asked @JoGaudet who sent me the changes needed in an email. Given the desire to turn this around quickly I entered these for him. He is also the one to give the first change which @krzywon implemented. Given the nature of these changes I feel it can now be merged so approving.

@krzywon krzywon merged commit 39c41ab into release_1.0.8 Jul 17, 2024
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@krzywon krzywon deleted the 602-fcc-paracrystalline-model-fix branch July 17, 2024 17:52
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2 participants