pyscfad.gto.mole_lite.MoleLite.with_rinv_origin

MoleLite.with_rinv_origin(coord)

Return a temporary mol context which has the rquired origin of 1/r operator. The required origin has no effects out of the temporary context. See also mol.set_rinv_origin()

Examples:

>>> with mol.with_rinv_origin((1,0,0)):
...     mol.intor('int1e_rinv')

Parameters:

coord (ArrayLike)