diff --git a/contrib/anisotropic_plagioclase/plagioclase_model_plots.py b/contrib/anisotropic_plagioclase/plagioclase_model_plots.py index a858a0c0c..480d823d6 100644 --- a/contrib/anisotropic_plagioclase/plagioclase_model_plots.py +++ b/contrib/anisotropic_plagioclase/plagioclase_model_plots.py @@ -4,7 +4,21 @@ from plagioclase_model import make_anisotropic_model from plagioclase_data import get_data from burnman.minerals.SLB_2022 import plagioclase +from burnman.utils.unitcell import cell_parameters_to_vectors +from burnman.constants import Avogadro + +# First, let's convert the Brown albite cell parameters into +# the model cell tensor, and also calculate the volume. +cell_parameters = [8.1366e-10, 12.7857e-10, 7.1582e-10, 94.253, 116.605, 87.756] +Z = 4 +cell_vectors = np.cbrt(Avogadro / Z) * cell_parameters_to_vectors( + cell_parameters, [1, 2, 0] +) +np.set_printoptions(precision=6) +print(cell_vectors.T) +print(np.linalg.det(cell_vectors.T)) +# Now load the SLB plagioclase and the one for this study ss_SLB = plagioclase() ss = make_anisotropic_model(scalar_args, cell_args, elastic_args)