2. Potentials

Equation (2) in paragraph 1.3.2 gives the general expression for the potential energy of a system. When possible, the potential energy due to the interaction between particles is evaluated only through the V ₂ function to minimize...

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Potentials

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Implementing molecular dynamics

References

(1) - ALLEN (M.P), TILDESLEY (D.J) - Computer simulation of liquid. - Oxford University Press Inc. New York p. 385, bibl. (env 600 réf.) (1987).
(2) - FRENKEL (D.), BEREND (S.) - Understanding molecular simulation. - Academic Press p. 443,...

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