1. 14 Apr, 2025 1 commit
    • Peter Eastman's avatar
      DPDIntegrator (#4799) · de180e4e
      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
      de180e4e
  2. 11 Aug, 2021 1 commit
    • Josh A. Mitchell's avatar
      Move to actively maintained dependencies for API docs (#3201) · ae2fe2fd
      Josh A. Mitchell authored
      * Proof of concept matching current behaviour with Breathe
      
      * Reorganise C++ API docs to work without autosummary
      
      * Revert to Sphinx-native search
      
      * Move remaining pip deps to conda
      
      * Remove unnecessary lunrsearch templates
      
      * Remove lunrsearch from cmake
      
      * Tidy up layout of API docs
      
      * Get code blocks to work with Breathe
      
      Breathe doesn't seem to support the Doxygen <preformatted> tag.
      It does support the <code> tag, but better yet it supports using
      <verbatim> tags to embed rst into docstrings. This commit changes
      all <pre> tags to use RST verbatim, and updates the Python
      documentation machinery to support it too.
      
      * Clarified some language
      
      * Have doxygen exclude undocumented classes and have sphinx fail on warnings for C++ API docs
      
      * List custom forces and integrators last
      
      * Add breathe to documentation CI
      
      * Typo
      
      * Fix link to custom forces in extras.rst
      
      * Have Breathe process only public classes
      
      * Strip OpenMM:: prefix from rst files to avoid colons in links
      
      * Remove existing private classes from EXCLUDE_SYMBOLS
      
      * Add comment to C++ cmake describing why we promote warnings to errors
      
      * Revise documentation build instructions for new dependencies
      ae2fe2fd