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.

 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.

Table 4.14: Four-body Potentials
key potential type Variables (1-2) functional form\ddag
         
harm Harmonic $k$ $\phi_0$ $U(\phi)= {1\over 2} k (\phi - \phi_0)^2
$
         
hcos Harmonic cosine $k$ $\phi_{0}$ $U(\phi)={k\over
2}(cos(\phi) -cos(\phi_{0}))^{2}$
         
plan Planar $A$   $U(\phi)= A \left [ 1 - \cos (\phi)\right]
$
         
\ddag$\phi$ is the inversion angle.
 



next up previous contents index
Next: External Field Up: Non-bonded Interactions Previous: fbp n   Contents   Index
W Smith 2003-05-12