Add InteractionDefinitions

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

diff --git a/src/gromacs/mdlib/settle_gpu.cu b/src/gromacs/mdlib/settle_gpu.cu
index 2707d1744bc900565414bce69fe47921e762ee9b..d1e8f508d504e7789d917a56a5e3a71c2c69222a 100644 (file)
--- a/src/gromacs/mdlib/settle_gpu.cu
+++ b/src/gromacs/mdlib/settle_gpu.cu
@@ -604,12 +604,12 @@ SettleGpu::~SettleGpu()
     }
 }
 
-void SettleGpu::set(const t_idef& idef, const t_mdatoms gmx_unused& md)
+void SettleGpu::set(const InteractionDefinitions& idef, const t_mdatoms gmx_unused& md)
 {
-    const int nral1     = 1 + NRAL(F_SETTLE);
-    t_ilist   il_settle = idef.il[F_SETTLE];
-    t_iatom*  iatoms    = il_settle.iatoms;
-    numSettles_         = il_settle.nr / nral1;
+    const int              nral1     = 1 + NRAL(F_SETTLE);
+    const InteractionList& il_settle = idef.il[F_SETTLE];
+    ArrayRef<const int>    iatoms    = il_settle.iatoms;
+    numSettles_                      = il_settle.size() / nral1;
 
     reallocateDeviceBuffer(&d_atomIds_, numSettles_, &numAtomIds_, &numAtomIdsAlloc_, nullptr);
     h_atomIds_.resize(numSettles_);