[gmx-developers] rvec structure

Berk Hess hessb at mpip-mainz.mpg.de
Thu Jul 7 15:46:31 CEST 2005

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]);
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.


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