can be atom numbers or tag names. Note that the
current setting of dummies is remembered by the program across restarts via
the MOLPRO variable DUMMYATOMS. Dummies can be reset to
their original charges using a DUMMY card with no entries.
Sets nuclear charges on atoms 1,2 etc. to zero, for doing counterpoise
calculations, for example.
atom1, atom2, can be atom numbers or tag names. Note that the
current setting of dummies is remembered by the program across restarts via
the MOLPRO variable DUMMYATOMS. Dummies can be reset to
their original charges using a DUMMY card with no entries.