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If strict
non-crystallographic symmetry is imposed, the crystal symmetry interactions
cannot be computed because of nonequivalent environments (see
Chapter 18). Instead, only the
interaction between non-crystallographically related molecules is
computed using the and functional forms, i.e.,
(4.23)
(4.24)
The atom/group search and the update of the interaction list are carried out
analogously to the intramolecular case. (Refer to Chapter 18
for the definition of non-crystallographic
symmetry operators.)