GitLab

Updated benchmark script

Added 2019 CHARMM polarizable force field

Nosé Hoover Integrator docs

CPU: Various optimisations which improve AVX/AVX2

CPU: Added support for AVX2.

Don't mark Drude particles as deuterium

Fixed an error using virtual sites with patches

Allow selection of OpenCL platfom/device for plugin tests

Adding SOVERSION for OpenMM main shared library

Add OpenCL platform index for tests that use two devices

Fixed check for changed exceptions

Fix undefined behaviour when accessing empty std::vector

Silence warning about casting 'int' to 'void*' on x64 for msvc

Improvements for ARM64 vector implementation

Cast 'int' to an integer with the same size as a pointer before casting to a 'void*'
(fixes warning C4312: 'type cast': conversion from 'int' to 'void *' of greater size).

Replace NULL with nullptr when adding kernel arguments

This ensures that the correct argument size is used when calling clSetKernelArg.

Fix invalid call to __host__ function in computeBondedForces

Added Integrator.setIntegrationForceGroups()

Made some tests more robust