Function IPModel_LJ

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Function `IPModel_LJ_pairenergy`

$\begin{boxedminipage}{\textwidth} \begin{verbatim}i = IPModel_LJ_pairenergy(this,ti,tj,r)\end{verbatim} \end{boxedminipage}$

This routine computes the two-body term for a pair of atoms separated by a distance r.

this -- type(IPModel_LJ), intent(in)

ti, tj -- integer, intent(in)

Atomic types.

r -- real(dp), intent(in)

Distance.

Return value -- real(dp)

IPModel_LJ_pairenergy_deriv function

gabor 2009-06-30