GitLab

fixed problem w/ storage of PME induced dipoles

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

Removed debugging code

Check if aewald has been set; if not, then call NonbondedForceImpl::calcPMEParameters() to set aewald and grid dimensions

TorsionTorsion grids reordered, if needed, so that first angle is the 'slow' index
Fixes for MonteCarloBarostat 

Windows compiler did not like the following: std::max(std::max(gridSize.x, gridSize.y), gridSize.z);