pyspinw.basis

Functions for working with different basis vectors

Functions

angle_axis_rotation_matrix(angle_rad, axis)	Get a matrix for rotation by angle_rad radians around the axis axis
demo_angle_axis_rotation_matrix()	Show some plots demonstrating the angle-axis rotations
demo_find_aligned_basis()	Example / test for find_aligned_basis
find_aligned_basis(vectors[, rcond])	Find a set of orthonormal basis vectors aligned with the first being aligned to the input vectors
site_rotations(vectors[, rcond])	Return an aligned basis as an n-by-3-by-3 matrix

pyspinw.basis.angle_axis_rotation_matrix(angle_rad, axis: ndarray)

Get a matrix for rotation by angle_rad radians around the axis axis

pyspinw.basis.demo_angle_axis_rotation_matrix()

Show some plots demonstrating the angle-axis rotations

pyspinw.basis.demo_find_aligned_basis()

Example / test for find_aligned_basis

pyspinw.basis.find_aligned_basis(vectors: ndarray, rcond: float | None = None) → tuple[ndarray, ndarray, ndarray]

Find a set of orthonormal basis vectors aligned with the first being aligned to the input vectors

Parameters:

• vectors – an n-by-3 numpy array containing the vectors to use to calculate the basis

• rcond – tolerance on the calculation, default is 3 * machine precision

pyspinw.basis.site_rotations(vectors: ndarray, rcond: float | None = None)

Return an aligned basis as an n-by-3-by-3 matrix