- 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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- 19 Mar, 2013 1 commit
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Peter Eastman authored
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- 18 Mar, 2013 2 commits
- 17 Mar, 2013 1 commit
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Lee-Ping Wang authored
Fixed units for AMOEBA dipole and quadrupole moment (now returns Debye and Debye * Angstrom, not Debye/10 and Debye*Angstrom/100.) Rationale is that Debye/10 is not a common physical unit. Note that CUDA platform still gets quadrupole to be incorrect.
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- 26 Feb, 2013 4 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
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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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- 22 Feb, 2013 1 commit
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Peter Eastman authored
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- 21 Feb, 2013 3 commits
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Yutong Zhao authored
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Peter Eastman authored
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Yutong Zhao authored
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- 20 Feb, 2013 3 commits
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Yutong Zhao authored
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Yutong Zhao authored
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Yutong Zhao authored
Support for serialization of Integrator base class, and two derived classes: LangevinIntegrator and VerletIntegrator. Also added support for python serialization via a single deserializeIntegrator()
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- 19 Feb, 2013 1 commit
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Yutong Zhao authored
Fixes uninitialized bits occurring in the PaddedNumAtoms regions by properly constructing them. This should hopefully get rid of some of the NaN errors we've been seeing.
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- 14 Feb, 2013 1 commit
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Peter Eastman authored
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- 12 Feb, 2013 1 commit
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Yutong Zhao authored
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- 11 Feb, 2013 1 commit
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Yutong Zhao authored
Fixed deserializeState interface to take in a string (so it is consistent with that of deserializeSystem)
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- 05 Feb, 2013 1 commit
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Yutong Zhao authored
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- 24 Jan, 2013 1 commit
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Yutong Zhao authored
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- 23 Jan, 2013 3 commits
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Peter Eastman authored
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Yutong Zhao authored
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Peter Eastman authored
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- 22 Jan, 2013 1 commit
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Yutong Zhao authored
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- 21 Jan, 2013 2 commits
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Peter Eastman authored
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Yutong Zhao authored
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- 19 Jan, 2013 1 commit
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Peter Eastman authored
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- 16 Jan, 2013 1 commit
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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 2 commits
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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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Peter Eastman authored
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- 12 Jan, 2013 2 commits
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Lee-Ping Wang authored
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Lee-Ping Wang authored
Modified the AmoebaMultipoleForce.getSystemMultipoleMoments method with two extra arguments; toggle whether to evaluate energy/force and select maximum multipole order.
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