pyscfad.gto.mole_lite.MoleLite.with_common_origin

MoleLite.with_common_origin(coord)

Return a temporary mol context which has the rquired common origin. The required common origin has no effects out of the temporary context. See also mol.set_common_origin()

Examples:

>>> with mol.with_common_origin((1,0,0)):
...     mol.intor('int1e_r', comp=3)

Parameters:

coord (ArrayLike)