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tsoc
openmm
Commits
4d007499
Commit
4d007499
authored
Jan 19, 2016
by
jchodera
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Merge remote-tracking branch 'upstream/master' into forcefield
parents
f1ec09fe
6b3a8337
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
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platforms/cuda/src/CudaKernels.cpp
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4d007499
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@@ -1710,8 +1710,6 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon
result = cufftPlan3d(&fftBackward, gridSizeX, gridSizeY, gridSizeZ, cu.getUseDoublePrecision() ? CUFFT_Z2D : CUFFT_C2R);
if (result != CUFFT_SUCCESS)
throw OpenMMException("Error initializing FFT: "+cu.intToString(result));
cufftSetCompatibilityMode(fftForward, CUFFT_COMPATIBILITY_NATIVE);
cufftSetCompatibilityMode(fftBackward, CUFFT_COMPATIBILITY_NATIVE);
}
else
fft = new CudaFFT3D(cu, gridSizeX, gridSizeY, gridSizeZ, true);
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