- 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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- 25 Nov, 2024 1 commit
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Peter Eastman authored
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- 01 Apr, 2013 1 commit
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Yutong Zhao authored
Removed redundant overload of == operator in AssertionUtilities.h. Removed extraneous version check for serialized integrators and state. Updated unit test to include more details.
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- 30 Mar, 2013 1 commit
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Yutong Zhao authored
Completed support for serialization of all integrator types. Modified Assertion utilities to allow ASSERT_EQUAL to work on strings. Updated unit tests for testSerializeIntegrators.
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- 22 Mar, 2013 1 commit
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Peter Eastman authored
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- 20 Feb, 2013 1 commit
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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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- 24 Sep, 2010 1 commit
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Peter Eastman authored
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- 22 Sep, 2010 1 commit
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Peter Eastman authored
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- 20 Sep, 2010 1 commit
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Peter Eastman authored
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- 18 Sep, 2010 1 commit
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Peter Eastman authored
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- 12 May, 2010 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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- 04 Nov, 2008 1 commit
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Peter Eastman authored
Implemented dynamic loading of platforms from DLLs. Also fixed a lot of compilation errors and warnings under Windows.
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- 13 May, 2008 1 commit
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Peter Eastman authored
Modified the initialization order of ForceImpls to prevent them from trying to initialize themselves before the Platform had been chosen
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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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