2 Commits

Author	SHA1	Message	Date
Evan Pretti	05472c9a81	Update file headers (#5074) ... * Replace SimTK-containing file headers * Update file headers for new Tinker reader files added	2025-09-23 10:27:26 -07:00
Peter Eastman	de180e4e94	DPDIntegrator (#4799) ... * 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	2025-04-14 08:44:16 -07:00