orthormalize¶

chemcoord.utilities.orthormalize(basis)[source]¶

Orthonormalizes a given basis.

This functions returns a right handed orthormalized basis. Since only the first two vectors in the basis are used, it does not matter if you give two or three vectors.

Right handed means, that:

np.cross(e1, e2) = e3

np.cross(e2, e3) = e1

np.cross(e3, e1) = e2

Parameters:	basis (np.array) – An array of shape = (3,2) or (3,3)
Returns:	A right handed orthonormalized basis.
Return type:	new_basis (np.array)