Added extern' to SetCalculateLocalSoftcoreGpuSim definition

plugins/freeEnergy/openmmapi/include/openmm/freeEnergyKernels.h

@@ -32,10 +32,13 @@
  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
  * -------------------------------------------------------------------------- */
 
-#include "openmm/GBSAOBCSoftcoreForce.h"
-#include "openmm/GBVISoftcoreForce.h"
+//#include "openmm/GBSAOBCSoftcoreForce.h"
+#include "GBSAOBCSoftcoreForce.h"
+//#include "openmm/GBVISoftcoreForce.h"
+#include "GBVISoftcoreForce.h"
 #include "openmm/NonbondedForce.h"
-#include "openmm/NonbondedSoftcoreForce.h"
+//#include "openmm/NonbondedSoftcoreForce.h"
+#include "NonbondedSoftcoreForce.h"
 #include "openmm/System.h"
 #include "openmm/KernelImpl.h"
 #include <set>

plugins/freeEnergy/platforms/cuda/src/kernels/GpuFreeEnergyCudaKernels.h

@@ -88,11 +88,6 @@ GpuGBVISoftcore* gpuSetGBVISoftcoreParameters(gpuContext gpu, float innerDielect
                                               const std::vector<float>& gamma, const std::vector<float>& scaledRadii,
                                               const std::vector<float>& bornRadiusScaleFactors, const std::vector<float>& quinticSplineParameters);
 
-// delete supplemtentary objects, ...
-
-extern "C"
-void gpuDeleteGBVISoftcoreParameters( void* gpuNonbondedSoftcore);
-
 // write address's to device
 
 extern "C"

plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateGBVISoftcoreBornSum.cu

@@ -157,14 +157,6 @@ gpu->psObcData->Upload();
 
 }
 
-// delete gpuGBVISoftcore
-
-extern "C"
-void gpuDeleteGBVISoftcoreParameters( void* gpuGBVISoftcore)
-{
-   delete gpuGBVISoftcore;
-}
-
 struct Atom {
     float x;
     float y;
@@ -518,7 +510,7 @@ void kCalculateGBVISoftcoreBornSum(gpuContext gpu)
     kClearGBVISoftcoreBornSum( gpu );
     LAUNCHERROR("kClearGBVIBornSum from kCalculateGBVISoftcoreBornSum");
 
-    size_t numWithInteractions;
+    //size_t numWithInteractions;
     switch (gpu->sim.nonbondedMethod)
     {
         case NO_CUTOFF:

plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateLocalSoftcoreForces.cu

@@ -95,7 +95,7 @@ static __constant__ cudaFreeEnergySimulationNonbonded14 feSim;
     angle = (dp >= 0) ? angle : -angle; \
 }
 
-void SetCalculateLocalSoftcoreGpuSim(gpuContext gpu)
+extern "C" void SetCalculateLocalSoftcoreGpuSim(gpuContext gpu)
 {
     cudaError_t status;
     status = cudaMemcpyToSymbol(cSim, &gpu->sim, sizeof(cudaGmxSimulation));