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Commit ea3c4747 authored by Peter Eastman's avatar Peter Eastman
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Fixed error compiling kernel

parent 37a87d8a
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platforms/cuda/src/kernels/langevin.cu
View file @ ea3c4747
......@@ -119,9 +119,9 @@ extern "C" __global__ void selectLangevinStepSize(int numAtoms, int paddedNumAto
// Recalculate the integration parameters.
mixed vscale = EXP(-newStepSize*friction);
mixed vscale = exp(-newStepSize*friction);
mixed fscale = (friction == 0 ? newStepSize : (1-vscale)/friction);
mixed noisescale = SQRT(kT*(1-vscale*vscale));
mixed noisescale = sqrt(kT*(1-vscale*vscale));
params[VelScale] = vscale;
params[ForceScale] = fscale;
params[NoiseScale] = noisescale;
......
platforms/opencl/src/kernels/langevin.cl
View file @ ea3c4747
......@@ -110,9 +110,9 @@ __kernel void selectLangevinStepSize(mixed maxStepSize, mixed errorTol, mixed fr
// Recalculate the integration parameters.
mixed vscale = EXP(-newStepSize*friction);
mixed vscale = exp(-newStepSize*friction);
mixed fscale = (friction == 0 ? newStepSize : (1-vscale)/friction);
mixed noisescale = SQRT(kT*(1-vscale*vscale));
mixed noisescale = sqrt(kT*(1-vscale*vscale));
params[VelScale] = vscale;
params[ForceScale] = fscale;
params[NoiseScale] = noisescale;
......
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