Doxygen comment for dd_make_local_rotation_groups

[alexxy/gromacs.git] / include / pull_rotation.h

diff --git a/include/pull_rotation.h b/include/pull_rotation.h
index df6ed1ffd1aaafd997c1e3ba20660f1b557c0b2a..403d571c4239c3d5e4ad67d11162bd3c57873a82 100644 (file)
--- a/include/pull_rotation.h
+++ b/include/pull_rotation.h
@@ -79,7 +79,17 @@ extern void init_rot(FILE *fplog,t_inputrec *ir,int nfile,const t_filenm fnm[],
         t_commrec *cr, rvec *x, matrix box, gmx_mtop_t *mtop, const output_env_t oenv,
         gmx_bool bVerbose, unsigned long Flags);
 
-extern void dd_make_local_rotation_groups(gmx_domdec_t *dd,t_rot *rot,t_mdatoms *md);
+
+/*! \brief Make a selection of the home atoms for all enforced rotation groups.
+ *
+ * This routine is similar to dd_make_local_pull_groups, but works only with
+ * domain decomposition. It should be called at every domain decomposition.
+ *
+ * \param dd                Structure containing domain decomposition data.
+ * \param rot               Pointer to all the enforced rotation data.
+ */
+extern void dd_make_local_rotation_groups(gmx_domdec_t *dd,t_rot *rot);
+
 
 /*! \brief Calculation of the enforced rotation potential.
  *