Add InteractionDefinitions

[alexxy/gromacs.git] / src / gromacs / mdlib / update_constrain_gpu_impl.cu

diff --git a/src/gromacs/mdlib/update_constrain_gpu_impl.cu b/src/gromacs/mdlib/update_constrain_gpu_impl.cu
index 6991ef0dc351ca2732eb0e3e46c3c68eadd959fc..c77e1924ed4f20308796d387af99fd772dea2e71 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_gpu_impl.cu
+++ b/src/gromacs/mdlib/update_constrain_gpu_impl.cu
@@ -188,12 +188,12 @@ UpdateConstrainGpu::Impl::Impl(const t_inputrec&     ir,
 
 UpdateConstrainGpu::Impl::~Impl() {}
 
-void UpdateConstrainGpu::Impl::set(DeviceBuffer<RVec>       d_x,
-                                   DeviceBuffer<RVec>       d_v,
-                                   const DeviceBuffer<RVec> d_f,
-                                   const t_idef&            idef,
-                                   const t_mdatoms&         md,
-                                   const int                numTempScaleValues)
+void UpdateConstrainGpu::Impl::set(DeviceBuffer<RVec>            d_x,
+                                   DeviceBuffer<RVec>            d_v,
+                                   const DeviceBuffer<RVec>      d_f,
+                                   const InteractionDefinitions& idef,
+                                   const t_mdatoms&              md,
+                                   const int                     numTempScaleValues)
 {
     GMX_ASSERT(d_x != nullptr, "Coordinates device buffer should not be null.");
     GMX_ASSERT(d_v != nullptr, "Velocities device buffer should not be null.");
@@ -259,12 +259,12 @@ void UpdateConstrainGpu::scaleCoordinates(const matrix scalingMatrix)
     impl_->scaleCoordinates(scalingMatrix);
 }
 
-void UpdateConstrainGpu::set(DeviceBuffer<RVec>       d_x,
-                             DeviceBuffer<RVec>       d_v,
-                             const DeviceBuffer<RVec> d_f,
-                             const t_idef&            idef,
-                             const t_mdatoms&         md,
-                             const int                numTempScaleValues)
+void UpdateConstrainGpu::set(DeviceBuffer<RVec>            d_x,
+                             DeviceBuffer<RVec>            d_v,
+                             const DeviceBuffer<RVec>      d_f,
+                             const InteractionDefinitions& idef,
+                             const t_mdatoms&              md,
+                             const int                     numTempScaleValues)
 {
     impl_->set(d_x, d_v, d_f, idef, md, numTempScaleValues);
 }