[gmx-developers] rvec structure

[Berk Hess]

Nathan Moore wrote:

>I'm looking into the move_x and move_f functions.
>
>Do I understand the rvec structure properly:  Atom i is described by rvec
>(x[i],v[i],f[i]), and the cartesian components are accessible with the
>following statement,
>
>printf("atom i=%d is at X=(%f, %f, %f)\n",
>    i, x[i][0], x[i][0], x[i][0]);
>
>  
>
No,
I suppose you meant x[i][0], x[i][1], x[i][2].

But as David said before, you can pass the whole array using x[0]
to an MPI function which expects a real *, no conversion is required.

Berk.