Use ArrayRefs instead of mdatoms in gmx_nb_free_energy_kernel signature

[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 67920fc4ae8712d42975f52ad5fbbba9c309494a..97e64eb0ff858ea3277a8f49aac6812236dd97b2 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
@@ -42,7 +42,6 @@
 #include "gromacs/utility/basedefinitions.h"
 
 struct t_forcerec;
-struct t_mdatoms;
 struct t_nrnb;
 struct t_nblist;
 namespace gmx
@@ -56,7 +55,10 @@ void gmx_nb_free_energy_kernel(const t_nblist&                nlist,
                                gmx::ArrayRef<const gmx::RVec> coords,
                                gmx::ForceWithShiftForces*     forceWithShiftForces,
                                const t_forcerec&              fr,
-                               const t_mdatoms&               mdatoms,
+                               gmx::ArrayRef<const real>      chargeA,
+                               gmx::ArrayRef<const real>      chargeB,
+                               gmx::ArrayRef<const int>       typeA,
+                               gmx::ArrayRef<const int>       typeB,
                                int                            flags,
                                gmx::ArrayRef<const real>      lambda,
                                gmx::ArrayRef<real>            dvdl,