Fixed a bug caused by a missing Define.

7643aff5 · Lee-Ping Wang · bab97655 · 7643aff5
Commit 7643aff5 authored Nov 20, 2012 by Lee-Ping Wang
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plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp +2 -0

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--- a/plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
+++ b/plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
@@ -958,6 +958,8 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
        pmeDefines["GRID_SIZE_Z"] = cu.intToString(gridSizeZ);
        pmeDefines["M_PI"] = cu.doubleToString(M_PI);
        pmeDefines["SQRT_PI"] = cu.doubleToString(sqrt(M_PI));
+        if (force.getPolarizationType() == AmoebaMultipoleForce::Direct)
+            pmeDefines["DIRECT_POLARIZATION"] = "";
        CUmodule module = cu.createModule(CudaKernelSources::vectorOps+CudaAmoebaKernelSources::multipolePme, pmeDefines);
        pmeUpdateBsplinesKernel = cu.getKernel(module, "updateBsplines");
        pmeAtomRangeKernel = cu.getKernel(module, "findAtomRangeForGrid");