where n is the number of four-body potentials to be entered. There follows n records, each specifying a particular four-body potential in the following manner:
atmnam 1 a8 first atom type (central site)
atmnam 2 a8 second atom type
atmnam 3 a8 third atom type
atmnam 4 a8 fourth atom type
key a4 potential key. See table 4.14
variable 1 real potential parameter see table4.14
variable 2 real potential parameter see table4.14
variable 3 real cutoff range for this potential (Å)
The variables pertaining to each potential are described in table
4.14. Note that the third variable is the range at which
the four-body potential is truncated. The distance is in Å,
measured from the central atom.
key | potential type | Variables (1-2) | functional form | |
harm | Harmonic | |||
hcos | Harmonic cosine | |||
plan | Planar | |||
is the inversion angle. | ||||