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Function diff


\begin{boxedminipage}{\textwidth} \begin{verbatim}d = diff(this,i,j,shift)\end{verbatim} \end{boxedminipage}

Difference vector between atoms $i$ and $j$ if they are separated by a shift of shift

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

i, j -- integer, intent(in)

shift -- integer, dimension(3)

Return value -- real(dp), dimension(3)

realpos function
gabor 2009-06-30