Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_free_energy.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
index 2bf8f90e3f8bd8bc60baf5462c60e5cf98e73781..30698281a799775b4de918e0507b0545f41fc972 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.c
@@ -40,7 +40,7 @@
 
 #include <math.h>
 
-#include "vec.h"
+#include "gromacs/math/vec.h"
 #include "typedefs.h"
 #include "nonbonded.h"
 #include "nb_kernel.h"
@@ -48,7 +48,7 @@
 #include "macros.h"
 #include "nb_free_energy.h"
 
-#include "gmx_fatal.h"
+#include "gromacs/utility/fatalerror.h"
 
 void
 gmx_nb_free_energy_kernel(const t_nblist * gmx_restrict    nlist,
@@ -177,7 +177,6 @@ gmx_nb_free_energy_kernel(const t_nblist * gmx_restrict    nlist,
     bDoPotential        = kernel_data->flags & GMX_NONBONDED_DO_POTENTIAL;
 
     rcoulomb            = fr->rcoulomb;
-    sh_ewald            = fr->ic->sh_ewald;
     rvdw                = fr->rvdw;
     sh_invrc6           = fr->ic->sh_invrc6;
     sh_lj_ewald         = fr->ic->sh_lj_ewald;