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Commit 7643aff5 authored by Lee-Ping Wang's avatar Lee-Ping Wang
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Fixed a bug caused by a missing Define.

parent bab97655
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plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
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...@@ -958,6 +958,8 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const ...@@ -958,6 +958,8 @@ void CudaCalcAmoebaMultipoleForceKernel::initialize(const System& system, const
pmeDefines["GRID_SIZE_Z"] = cu.intToString(gridSizeZ); pmeDefines["GRID_SIZE_Z"] = cu.intToString(gridSizeZ);
pmeDefines["M_PI"] = cu.doubleToString(M_PI); pmeDefines["M_PI"] = cu.doubleToString(M_PI);
pmeDefines["SQRT_PI"] = cu.doubleToString(sqrt(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); CUmodule module = cu.createModule(CudaKernelSources::vectorOps+CudaAmoebaKernelSources::multipolePme, pmeDefines);
pmeUpdateBsplinesKernel = cu.getKernel(module, "updateBsplines"); pmeUpdateBsplinesKernel = cu.getKernel(module, "updateBsplines");
pmeAtomRangeKernel = cu.getKernel(module, "findAtomRangeForGrid"); pmeAtomRangeKernel = cu.getKernel(module, "findAtomRangeForGrid");
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