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Commit 352e2fc7 authored by Peter Eastman's avatar Peter Eastman
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Fixed test failures on Windows

parent da66be82
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plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
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...@@ -1888,6 +1888,7 @@ void CudaCalcAmoebaGeneralizedKirkwoodForceKernel::initialize(const System& syst ...@@ -1888,6 +1888,7 @@ void CudaCalcAmoebaGeneralizedKirkwoodForceKernel::initialize(const System& syst
defines["GK_FD"] = cu.doubleToString(2*(1-solventDielectric)/(1+2*solventDielectric)); defines["GK_FD"] = cu.doubleToString(2*(1-solventDielectric)/(1+2*solventDielectric));
defines["GK_FQ"] = cu.doubleToString(3*(1-solventDielectric)/(2+3*solventDielectric)); defines["GK_FQ"] = cu.doubleToString(3*(1-solventDielectric)/(2+3*solventDielectric));
defines["EPSILON_FACTOR"] = cu.doubleToString(138.9354558456); defines["EPSILON_FACTOR"] = cu.doubleToString(138.9354558456);
defines["M_PI"] = cu.doubleToString(M_PI);
defines["ENERGY_SCALE_FACTOR"] = cu.doubleToString(138.9354558456/force.getSoluteDielectric()); defines["ENERGY_SCALE_FACTOR"] = cu.doubleToString(138.9354558456/force.getSoluteDielectric());
if (multipoles->getPolarizationType() == AmoebaMultipoleForce::Direct) if (multipoles->getPolarizationType() == AmoebaMultipoleForce::Direct)
defines["DIRECT_POLARIZATION"] = ""; defines["DIRECT_POLARIZATION"] = "";
...@@ -2237,6 +2238,7 @@ void CudaCalcAmoebaWcaDispersionForceKernel::initialize(const System& system, co ...@@ -2237,6 +2238,7 @@ void CudaCalcAmoebaWcaDispersionForceKernel::initialize(const System& system, co
defines["RMINH"] = cu.doubleToString(force.getRminh()); defines["RMINH"] = cu.doubleToString(force.getRminh());
defines["AWATER"] = cu.doubleToString(force.getAwater()); defines["AWATER"] = cu.doubleToString(force.getAwater());
defines["SHCTD"] = cu.doubleToString(force.getShctd()); defines["SHCTD"] = cu.doubleToString(force.getShctd());
defines["M_PI"] = cu.doubleToString(M_PI);
CUmodule module = cu.createModule(CudaKernelSources::vectorOps+CudaAmoebaKernelSources::amoebaWcaForce, defines); CUmodule module = cu.createModule(CudaKernelSources::vectorOps+CudaAmoebaKernelSources::amoebaWcaForce, defines);
forceKernel = cu.getKernel(module, "computeWCAForce"); forceKernel = cu.getKernel(module, "computeWCAForce");
totalMaximumDispersionEnergy = AmoebaWcaDispersionForceImpl::getTotalMaximumDispersionEnergy(force); totalMaximumDispersionEnergy = AmoebaWcaDispersionForceImpl::getTotalMaximumDispersionEnergy(force);
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