pyscfad.gto.mole_lite.MoleLite.set_rinv_origin

MoleLite.set_rinv_origin(coord)

Update origin for operator \(\frac{1}{|r-R_O|}\). Note the unit is Bohr

Examples:

>>> mol.set_rinv_origin(0)
>>> mol.set_rinv_origin((0,1,0))

Parameters:

coord (ArrayLike)

Return type:

MoleLite