Const qualifier for forces in update_coords

Reflect the fact that forces are not changed in the coordinate
update routines.

Change-Id: I3c168bf185c6bb746c07d2bb10ff0bf6782c05cf

diff --git a/src/gromacs/mdlib/update.cpp b/src/gromacs/mdlib/update.cpp
index 36fcd31be5e179c6d90511a9bc63354d38db3bc3..81b0877eeb1c905915861488a33ad13df3ab2633 100644 (file)
--- a/src/gromacs/mdlib/update.cpp
+++ b/src/gromacs/mdlib/update.cpp
@@ -1768,18 +1768,18 @@ void update_pcouple_after_coordinates(FILE             *fplog,
     }
 }
 
-void update_coords(int64_t                             step,
-                   const t_inputrec                   *inputrec, /* input record and box stuff */
-                   const t_mdatoms                    *md,
-                   t_state                            *state,
-                   gmx::ArrayRefWithPadding<gmx::RVec> f,
-                   const t_fcdata                     *fcd,
-                   const gmx_ekindata_t               *ekind,
-                   const matrix                        M,
-                   Update                             *upd,
-                   int                                 UpdatePart,
-                   const t_commrec                    *cr, /* these shouldn't be here -- need to think about it */
-                   const gmx::Constraints             *constr)
+void update_coords(int64_t                                   step,
+                   const t_inputrec                         *inputrec, /* input record and box stuff   */
+                   const t_mdatoms                          *md,
+                   t_state                                  *state,
+                   gmx::ArrayRefWithPadding<const gmx::RVec> f,
+                   const t_fcdata                           *fcd,
+                   const gmx_ekindata_t                     *ekind,
+                   const matrix                              M,
+                   Update                                   *upd,
+                   int                                       UpdatePart,
+                   const t_commrec                          *cr, /* these shouldn't be here -- need to think about it */
+                   const gmx::Constraints                   *constr)
 {
     gmx_bool bDoConstr = (nullptr != constr);
 

diff --git a/src/gromacs/mdlib/update.h b/src/gromacs/mdlib/update.h
index 2f061bfc1a68e765904d2b15b9eed2eb97055711..6b1f3ad6c475282f9342ac90e9e6c644132930cb 100644 (file)
--- a/src/gromacs/mdlib/update.h
+++ b/src/gromacs/mdlib/update.h
@@ -136,18 +136,18 @@ void update_pcouple_after_coordinates(FILE             *fplog,
                                       t_nrnb           *nrnb,
                                       gmx::Update      *upd);
 
-void update_coords(int64_t                             step,
-                   const t_inputrec                   *inputrec, /* input record and box stuff */
-                   const t_mdatoms                    *md,
-                   t_state                            *state,
-                   gmx::ArrayRefWithPadding<gmx::RVec> f, /* forces on home particles */
-                   const t_fcdata                     *fcd,
-                   const gmx_ekindata_t               *ekind,
-                   const matrix                        M,
-                   gmx::Update                        *upd,
-                   int                                 bUpdatePart,
-                   const t_commrec                    *cr, /* these shouldn't be here -- need to think about it */
-                   const gmx::Constraints             *constr);
+void update_coords(int64_t                                   step,
+                   const t_inputrec                         *inputrec, /* input record and box stuff   */
+                   const t_mdatoms                          *md,
+                   t_state                                  *state,
+                   gmx::ArrayRefWithPadding<const gmx::RVec> f, /* forces on home particles */
+                   const t_fcdata                           *fcd,
+                   const gmx_ekindata_t                     *ekind,
+                   const matrix                              M,
+                   gmx::Update                              *upd,
+                   int                                       bUpdatePart,
+                   const t_commrec                          *cr, /* these shouldn't be here -- need to think about it */
+                   const gmx::Constraints                   *constr);
 
 /* Return TRUE if OK, FALSE in case of Shake Error */