Merge pull request #71 from GiovanniBussi/master

Fix type of argument to plumed_cmd
openmm · Nov 7, 2023 · c54094d · c54094d
2 parents 5406068 + 98b4941
commit c54094d
Show file tree

Hide file tree

Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/platforms/cuda/src/CudaPlumedKernels.cpp b/platforms/cuda/src/CudaPlumedKernels.cpp
@@ -236,7 +236,7 @@ void CudaCalcPlumedForceKernel::executeOnWorkerThread() {
         plumed_cmd(plumedmain, "setBox", &boxVectors[0][0]);
     }
     double virial[9];
-    plumed_cmd(plumedmain, "setVirial", &virial);
+    plumed_cmd(plumedmain, "setVirial", &virial[0]);
 
     // Calculate the forces and energy.
 

diff --git a/platforms/opencl/src/OpenCLPlumedKernels.cpp b/platforms/opencl/src/OpenCLPlumedKernels.cpp
@@ -195,7 +195,7 @@ void OpenCLCalcPlumedForceKernel::executeOnWorkerThread() {
         plumed_cmd(plumedmain, "setBox", &boxVectors[0][0]);
     }
     double virial[9];
-    plumed_cmd(plumedmain, "setVirial", &virial);
+    plumed_cmd(plumedmain, "setVirial", &virial[0]);
 
     // Calculate the forces and energy.
 

diff --git a/platforms/reference/src/ReferencePlumedKernels.cpp b/platforms/reference/src/ReferencePlumedKernels.cpp
@@ -152,7 +152,7 @@ double ReferenceCalcPlumedForceKernel::execute(ContextImpl& context, bool includ
         plumed_cmd(plumedmain, "setBox", &boxVectors[0][0]);
     }
     double virial[9];
-    plumed_cmd(plumedmain, "setVirial", &virial);
+    plumed_cmd(plumedmain, "setVirial", &virial[0]);
 
     // Calculate the forces and energy.