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Examples : Pair Potentials

Warning: This is an example potential. Please do NOT use it for any real simulations!

This is the most simple potential that can be used in potfit. It does not make use of any advanced features. The analytic function used is a Lennard-Jones.

#F 0 1
#I 0
type lj
cutoff 6.0
epsilon 0.10    0.00    1.00
sigma   2.50    1.00    4.00


The example potential can be generated with the following makeapot command:

makeapot -n 1 -i pair -f lj
examples/potentials/pair/1.txt ยท Last modified: 2018/01/10 17:34 by daniel