Remove mdatoms from forceprovider call signature

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

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index 5208ffc5c1c5c40e877551e139f97d7d3367d622..99dc4758c4070546394ece82f252eecca21dc6c4 100644 (file)
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -641,7 +641,14 @@ static void computeSpecialForces(FILE*                          fplog,
      */
     if (stepWork.computeForces)
     {
-        gmx::ForceProviderInput  forceProviderInput(x, *mdatoms, t, box, *cr);
+        gmx::ForceProviderInput forceProviderInput(
+                x,
+                mdatoms->homenr,
+                gmx::arrayRefFromArray(mdatoms->chargeA, mdatoms->homenr),
+                gmx::arrayRefFromArray(mdatoms->massT, mdatoms->homenr),
+                t,
+                box,
+                *cr);
         gmx::ForceProviderOutput forceProviderOutput(forceWithVirialMtsLevel0, enerd);
 
         /* Collect forces from modules */