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Elastic constants assumed stress error #174

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thomas-rocke
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Adds an optional analytic BLR mean + error to fit_elastic_constants y=mx+c fit, with assumed priors on the scale of elastic contants (m) and zero strain stresses (c), plus an assumed noise variance on all stress observations (y).

BLR solution is off by default, is turned on when stress_err is not None.

@jameskermode jameskermode merged commit 9d1254f into libAtoms:master Aug 23, 2023
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@thomas-rocke thomas-rocke deleted the elastic-constants-assumed-err branch May 9, 2024 10:19
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2 participants