Pass forcerec arguments instead of forcerec to gmx_nb_free_energy_kernel

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

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
index 97e64eb0ff858ea3277a8f49aac6812236dd97b2..c08ff371cfbe946974afd18f7bbb172272217ad1 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
@@ -44,6 +44,7 @@
 struct t_forcerec;
 struct t_nrnb;
 struct t_nblist;
+struct interaction_const_t;
 namespace gmx
 {
 class ForceWithShiftForces;
@@ -54,7 +55,13 @@ class ArrayRef;
 void gmx_nb_free_energy_kernel(const t_nblist&                nlist,
                                gmx::ArrayRef<const gmx::RVec> coords,
                                gmx::ForceWithShiftForces*     forceWithShiftForces,
-                               const t_forcerec&              fr,
+                               bool                           useSimd,
+                               int                            ntype,
+                               real                           rlist,
+                               const interaction_const_t&     ic,
+                               gmx::ArrayRef<const gmx::RVec> shiftvec,
+                               gmx::ArrayRef<const real>      nbfp,
+                               gmx::ArrayRef<const real>      nbfp_grid,
                                gmx::ArrayRef<const real>      chargeA,
                                gmx::ArrayRef<const real>      chargeB,
                                gmx::ArrayRef<const int>       typeA,