Changelog

2026.1.0 - ********

Add support for getting and restoring sampling statistics.
Handle XED force field virtual sites.
Add support for long-range Lennard-Jones dispersion correction.
Add support for Beutler soft-core Lennard-Jones form.
Fixed type check for water_template.
Add support for simulations in the osmotic ensemble.
Fixed non-uniform bulk insertion positions caused by use of normal rather than uniform random numbers.
Add methods to update the system with the current water state and return system without ghost waters.

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.