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print ab cell data #603

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Nov 12, 2024
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print ab cell data #603

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14 changes: 14 additions & 0 deletions contrib/anisotropic_plagioclase/plagioclase_model_plots.py
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Expand Up @@ -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)
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