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Subroutine BONDLENGTH_DIFF


\begin{boxedminipage}{\textwidth} \begin{verbatim}call BONDLENGTH_DIFF(pos,velo,t,data, & C,dC_dr,dC_dt)\end{verbatim} \end{boxedminipage}

Constrain the difference of 2 bond length of 3 atoms. The second atom is common in the 2 bonds. data should contain the required bond length The minimum image convention is used.

The function used is $C = \vert\mathbf{r}_1 - \mathbf{r}_2\vert - \vert\mathbf{r}_3 - \mathbf{r}_2\vert - d $

pos, velo, data -- real(dp), dimension(:), intent(in)

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

C -- real(dp), intent(out)

dC_dr -- real(dp), dimension(size(pos)), intent(out)

dC_dt -- real(dp), intent(out)

register_constraint function
gabor 2009-06-30