Always update data structs used by local forces

980280cb · Mark Friedrichs · 82159daf · 980280cb
Commit 980280cb authored Mar 06, 2012 by Mark Friedrichs
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plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp +1 -1

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--- a/plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp
+++ b/plugins/amoeba/platforms/cuda/src/kernels/amoebaCudaGpu.cpp
@@ -3029,13 +3029,13 @@ void amoebaGpuSetConstants(amoebaGpuContext amoebaGpu, int updateFlag )
            amoebaGpu->gpuContext->sim.preFactor = -amoebaGpu->amoebaSim.electric*((1.0f/amoebaGpu->amoebaSim.dielec)-(1.0f/amoebaGpu->amoebaSim.dwater));
        }
        gpuSetAmoebaBondOffsets( amoebaGpu );
-        SetCalculateAmoebaLocalForcesSim( amoebaGpu );
        SetCalculateAmoebaCudaWcaDispersionSim( amoebaGpu );
        SetCalculateAmoebaKirkwoodSim( amoebaGpu );
        SetCalculateAmoebaKirkwoodEDiffSim( amoebaGpu );
        SetCalculateAmoebaGrycukSim(  amoebaGpu  );
    }

+    SetCalculateAmoebaLocalForcesSim( amoebaGpu );
    SetCalculateAmoebaCudaUtilitiesSim( amoebaGpu );
    SetCalculateAmoebaMultipoleForcesSim( amoebaGpu );
    SetCalculateAmoebaCudaFixedEFieldSim( amoebaGpu );