pyscfad.gto.mole_lite.MoleLite.set_common_origin#

MoleLite.set_common_origin(coord)[source]#

Update common origin for integrals of dipole, rxp etc. Note the unit of the coordinates needs to be Bohr

Examples:

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