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Changelog

2025.2.0 - Feb 2026

  • Fixed handling of four- and five-point water models #2.
  • Add support for the OpenCL platform and optimise GPU kernels #6.
  • Clamp exponent to avoid exponential overflow when calculation the acceptance probability for the PME correction #9.
  • Reduce memory footprint by using a shared primary CUDA context on each GPU device #10.

2025.1.0 - Nov 2025

  • Initial public release.