paramagpy.protein.CustomAtom.dipole_shift_tensor

CustomAtom.dipole_shift_tensor(position)[source]

Calculate the magnetic field shielding tensor at the given postition due to the nuclear dipole

Assumes nuclear spin 1/2

Parameters

position (array floats) – the position (x, y, z) in meters

Returns

dipole_shielding_tensor – the tensor describing magnetic shielding at the given position

Return type

3x3 array