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This repository has been archived by the owner on Apr 23, 2021. It is now read-only.
when the angle alpha gets close to 120 degree, the z coordinate of the third primitive vector gets vanishingly small. Eventually np.sqrt(sina**2 - ((cosa-cosa**2) / sina)**2)here is trying to compute the square-root of a negative value.
Edited:
Similar problem with for_triclinic_lattice
Should raise a ValueError when the quantity within sqrt is less than 0
The text was updated successfully, but these errors were encountered:
when the angle
alpha
gets close to 120 degree, the z coordinate of the third primitive vector gets vanishingly small. Eventuallynp.sqrt(sina**2 - ((cosa-cosa**2) / sina)**2)
here is trying to compute the square-root of a negative value.Edited:
Similar problem with
for_triclinic_lattice
Should raise a ValueError when the quantity within sqrt is less than 0
The text was updated successfully, but these errors were encountered: