GitLab

CustomNonbondedForce.cpp, CudaNonbondedUtilities.cpp and CudaKernels.cpp are now fully reverted to 3478.

LPW attempted bugfixes: (1) Changed unit multipliers in AmoebaVdwForce::getParticleParameters (2) Sorted vectors in exclusionLists so it agrees with atomExclusions

OpenCLArray is no longer templatized and doesn't provide a host buffer.  This is in preparation for adding mixed/double precision support.

Began implementing new mixed precision model that does integration in double precision and force evaluation in single precision

Variable time step integrators correctly report the size of the last step taken.  Also improved accuracy of integration unit tests.

Tony's changes to error handling in the CUDA platform so it throws exceptions instead of calling exit()

Fixed bugs that caused constraints to fail when some were implemented with CCMA and some with a different method