- 14 Apr, 2025 1 commit
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Peter Eastman authored
* Created DPDIntegrator class * Reference implementation of DPDIntegrator * Build neighbor list for DPDIntegrator * Minor fixes * Documentation for DPDIntegrator * Python API for DPDIntegrator * Preliminary OpenCL implementation of DPDIntegrator * Enable USE_PERIODIC * Use updated positions in DPD thermostat * Working on neighbor list for OpenCL DPDIntegrator * ReorderListener for particle types * Serialization for DPDIntegrator * CUDA implementation of DPDIntegrator * HIP implementation of DPDIntegrator * Fixed compile error in Python wrapper * Fixed compile error in wrappers * Fixed uninitialized memory in reference neighbor list * Added DPDIntegrator to C++ API docs * Fixed incorrect launch size * Fixed nan in DPD random number generator * Minor optimizations * Improved load balancing * Fixed an indexing error * Neighbor list uses the maximum cutoff of any force * Fixed HIP compilation error * Fixed access to invalid memory * Added test case for diffusion coefficient * Try to debug segfaults on CI * Debugging * Debugging * Debugging * Debugging * Debugging * Debugging * Possible fix * Debugging * Debugging * Debugging * Use correct block size on CPU OpenCL * Workaround for bug in Intel's OpenCL for CPUs * Removed an unnecessary define * Removed debugging code * Include Dart * More Intel workarounds * Workaround for error in NVIDIA OpenCL
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- 18 Oct, 2021 1 commit
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Peter Eastman authored
* Added lots of checks for invalid parameter values * Fixed test failures * More checks for incorrect parameters * Fixed test failures
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- 27 May, 2020 1 commit
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peastman authored
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- 14 Feb, 2020 1 commit
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Peter Eastman authored
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- 04 Feb, 2020 1 commit
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Peter Eastman authored
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- 15 Jan, 2020 1 commit
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Peter Eastman authored
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- 25 Oct, 2019 1 commit
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Peter Eastman authored
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- 07 Oct, 2019 1 commit
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peastman authored
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- 10 Jun, 2015 1 commit
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Kyle Beauchamp authored
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- 05 Jan, 2015 1 commit
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Jason Swails authored
Context into the platform rather than hacked into getRandomNumberSeed... Someone please check this.
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- 20 May, 2014 2 commits
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Robert McGibbon authored
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Robert McGibbon authored
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- 03 Apr, 2013 1 commit
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Peter Eastman authored
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- 12 Jan, 2013 1 commit
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Peter Eastman authored
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- 25 Oct, 2012 1 commit
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Peter Eastman authored
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- 28 Jun, 2012 1 commit
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Peter Eastman authored
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- 14 May, 2012 1 commit
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Peter Eastman authored
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- 22 Mar, 2011 1 commit
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Peter Eastman authored
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- 12 Aug, 2010 1 commit
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Peter Eastman authored
Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes to avoid redundant calculations when requesting a State with both forces and energies
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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 23 Jun, 2009 1 commit
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Peter Eastman authored
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 20 Feb, 2009 1 commit
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Peter Eastman authored
Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.
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- 18 Nov, 2008 1 commit
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Peter Eastman authored
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- 22 Oct, 2008 1 commit
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Peter Eastman authored
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- 16 Oct, 2008 1 commit
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Peter Eastman authored
Changed how kernels get initialized. StandardMMForceField now has you set the 1-4 interactions explicitly. CMMotionRemover allows the removal frequency to be set.
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- 04 Jun, 2008 1 commit
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Peter Eastman authored
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- 16 Apr, 2008 2 commits
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Peter Eastman authored
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Peter Eastman authored
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