Commit ec8774a0 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Adding back in CalcAmoebaForcesAndEnergyKernel

parent 5705b8db
...@@ -56,7 +56,7 @@ extern "C" OPENMMCUDA_EXPORT void registerKernelFactories() { ...@@ -56,7 +56,7 @@ extern "C" OPENMMCUDA_EXPORT void registerKernelFactories() {
platform.registerKernelFactory(CalcAmoebaGeneralizedKirkwoodForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaGeneralizedKirkwoodForceKernel::Name(), factory);
platform.registerKernelFactory(CalcAmoebaVdwForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaVdwForceKernel::Name(), factory);
platform.registerKernelFactory(CalcAmoebaWcaDispersionForceKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaWcaDispersionForceKernel::Name(), factory);
// platform.registerKernelFactory(CalcAmoebaForcesAndEnergyKernel::Name(), factory); platform.registerKernelFactory(CalcAmoebaForcesAndEnergyKernel::Name(), factory);
} }
} }
} }
......
...@@ -76,8 +76,9 @@ void CalcAmoebaForcesAndEnergyKernel::beginComputation(ContextImpl& context, boo ...@@ -76,8 +76,9 @@ void CalcAmoebaForcesAndEnergyKernel::beginComputation(ContextImpl& context, boo
if(includeForces && data.getHasAmoebaGeneralizedKirkwood() ){ if(includeForces && data.getHasAmoebaGeneralizedKirkwood() ){
gpu->bIncludeGBSA = 1; gpu->bIncludeGBSA = 1;
} }
cudaCalcForcesAndEnergyKernel->beginComputation( context, includeForces, includeEnergy); cudaCalcForcesAndEnergyKernel->beginComputation( context, 1, includeEnergy);
gpu->bIncludeGBSA = originalIncludeGBSA; gpu->bIncludeGBSA = originalIncludeGBSA;
} }
double CalcAmoebaForcesAndEnergyKernel::finishComputation(ContextImpl& context, bool includeForces, bool includeEnergy) { double CalcAmoebaForcesAndEnergyKernel::finishComputation(ContextImpl& context, bool includeForces, bool includeEnergy) {
......
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