libAtoms / matscipy

Materials science with Python at the atomic-scale
http://libatoms.github.io/matscipy/
GNU Lesser General Public License v2.1
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Elastic constants assumed stress error #174

Closed thomas-rocke closed 1 year ago

thomas-rocke commented 1 year ago

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.