diff --git a/platforms/cuda/src/CudaTorchKernels.cpp b/platforms/cuda/src/CudaTorchKernels.cpp index d59e916..56559f6 100644 --- a/platforms/cuda/src/CudaTorchKernels.cpp +++ b/platforms/cuda/src/CudaTorchKernels.cpp @@ -52,9 +52,7 @@ using namespace std; } static map& extractEnergyParameterDerivatives(CudaContext& context) { - //CudaPlatform::PlatformData* data = reinterpret_cast(context.getPlatformData()); - //return *data->energyParameterDerivatives; - context.getEnergyParamDerivWorkspace(); + return context.getEnergyParamDerivWorkspace(); } CudaCalcTorchForceKernel::CudaCalcTorchForceKernel(string name, const Platform& platform, CudaContext& cu) : CalcTorchForceKernel(name, platform), hasInitializedKernel(false), cu(cu) {