Merge pull request #3 from peastman/ljpme

Bug fix to CUDA dispersion PME

platforms/cuda/src/CudaKernels.cpp

@@ -2175,13 +2175,13 @@ double CudaCalcNonbondedForceKernel::execute(ContextImpl& context, bool includeF
 
             if (includeEnergy) {
                 void* computeEnergyArgs[] = {&reciprocalPmeGrid->getDevicePointer(), usePmeStream ? &pmeEnergyBuffer->getDevicePointer() : &cu.getEnergyBuffer().getDevicePointer(),
-                        &pmeBsplineModuliX->getDevicePointer(), &pmeBsplineModuliY->getDevicePointer(), &pmeBsplineModuliZ->getDevicePointer(),
+                        &pmeDispersionBsplineModuliX->getDevicePointer(), &pmeDispersionBsplineModuliY->getDevicePointer(), &pmeDispersionBsplineModuliZ->getDevicePointer(),
                         cu.getPeriodicBoxSizePointer(), recipBoxVectorPointer[0], recipBoxVectorPointer[1], recipBoxVectorPointer[2]};
                 cu.executeKernel(pmeEvalDispersionEnergyKernel, computeEnergyArgs, dispersionGridSizeX*dispersionGridSizeY*dispersionGridSizeZ);
             }
 
             void* convolutionArgs[] = {&reciprocalPmeGrid->getDevicePointer(), &cu.getEnergyBuffer().getDevicePointer(),
-                    &pmeBsplineModuliX->getDevicePointer(), &pmeBsplineModuliY->getDevicePointer(), &pmeBsplineModuliZ->getDevicePointer(),
+                    &pmeDispersionBsplineModuliX->getDevicePointer(), &pmeDispersionBsplineModuliY->getDevicePointer(), &pmeDispersionBsplineModuliZ->getDevicePointer(),
                     cu.getPeriodicBoxSizePointer(), recipBoxVectorPointer[0], recipBoxVectorPointer[1], recipBoxVectorPointer[2]};
             cu.executeKernel(pmeDispersionConvolutionKernel, convolutionArgs, dispersionGridSizeX*dispersionGridSizeY*dispersionGridSizeZ, 256);