- 24 Apr, 2013 1 commit
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Peter Eastman authored
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- 23 Apr, 2013 2 commits
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Yutong Zhao authored
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Peter Eastman authored
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- 22 Apr, 2013 1 commit
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Peter Eastman authored
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- 19 Apr, 2013 2 commits
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Yutong Zhao authored
Fixes a hard to catch bug when a boundingBoxSize increases in size in between a timestep, but does not trigger a rebuild of the neighbourlist. Affects the usage of singlePeriodicCopy in nonbonded force.
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Peter Eastman authored
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- 15 Apr, 2013 3 commits
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Yutong Zhao authored
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Yutong Zhao authored
Fixes a minor windows compiler invocation issue where C:\Program Files becomes delimited by the space. Also enables debugging libraries to be built in debug mode for WIN32 + Visual Studio.
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Yutong Zhao authored
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- 12 Apr, 2013 2 commits
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Peter Eastman authored
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Peter Eastman authored
When computing kinetic energy, make sure the shifted velocities are perpendicular to the constraints
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- 10 Apr, 2013 1 commit
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Peter Eastman authored
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- 08 Apr, 2013 2 commits
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Peter Eastman authored
Reduced memory use for random numbers, eliminated unnecessary calculation when generating random numbers
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Peter Eastman authored
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- 05 Apr, 2013 1 commit
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Peter Eastman authored
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- 04 Apr, 2013 1 commit
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Peter Eastman authored
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- 28 Mar, 2013 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 25 Mar, 2013 1 commit
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Yutong Zhao authored
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- 22 Mar, 2013 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Yutong Zhao authored
Fixes nvcc terminals popping up during CUDA JIT compilation due to invoking system("nvcc ..."). Replaced with MSVC's native CreateProcess() function.
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- 26 Feb, 2013 3 commits
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Peter Eastman authored
CudaApplyConstraintsKernel::apply() did not set the context as current, leading to errors when using multiple contexts
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Yutong Zhao authored
No commit message
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Peter Eastman authored
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- 25 Feb, 2013 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 14 Jan, 2013 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 13 Jan, 2013 1 commit
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Yutong Zhao authored
Fixed potential energy discrepancies in large systems between CUDA and Reference platform. The energy calculation now uses the same method as that of reciprocalConvolution so it mirrors the reference implementation. OpenCL is fine.
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- 07 Jan, 2013 1 commit
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Peter Eastman authored
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- 18 Dec, 2012 1 commit
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Peter Eastman authored
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- 14 Dec, 2012 1 commit
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Peter Eastman authored
When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF. This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.
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- 12 Dec, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 07 Dec, 2012 1 commit
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Peter Eastman authored
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- 04 Dec, 2012 1 commit
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Lee-Ping Wang authored
Fixed error in updateNeighborListSize() when createInteractionKernel() has not been called (e.g. with AmoebaVdwForce)
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- 22 Nov, 2012 1 commit
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Peter Eastman authored
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- 16 Nov, 2012 1 commit
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Peter Eastman authored
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- 01 Nov, 2012 1 commit
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Peter Eastman authored
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