Remove forcerec and inputrec from ewald_LRcorrection

[alexxy/gromacs.git] / src / gromacs / mdlib / force.cpp

diff --git a/src/gromacs/mdlib/force.cpp b/src/gromacs/mdlib/force.cpp
index 8f07ca623113671f55b66c0b7107b417e1bc00e2..11123448175767bc13e72cb3401d81aa8373e994 100644 (file)
--- a/src/gromacs/mdlib/force.cpp
+++ b/src/gromacs/mdlib/force.cpp
@@ -165,8 +165,12 @@ void calculateLongRangeNonbondeds(t_forcerec*                    fr,
                                 cr,
                                 nthreads,
                                 t,
-                                *fr,
-                                ir,
+                                fr->ic->epsilon_r,
+                                fr->qsum,
+                                ir.ewald_geometry,
+                                ir.epsilon_surface,
+                                inputrecPbcXY2Walls(&ir),
+                                ir.wall_ewald_zfac,
                                 md->chargeA ? gmx::constArrayRefFromArray(md->chargeA, md->nr)
                                             : gmx::ArrayRef<const real>{},
                                 md->chargeB ? gmx::constArrayRefFromArray(md->chargeB, md->nr)