GitLab

Lots of new optimizations in ParsedExpression.optimize().  Also optimized CUDA evaluation of expressions.

All energies existing in Preview Release 3 now run on the GPU, new Ewald energy terms still use Reference implementation

Forced computation of dot product used in computing angles to be done in double precision; acos() is very steep for angles near pi and single precison was giving disagreement w/ corresponding Gromacs values (discrepancies of the order of ~1.0)  

Created a CudaPlatform property for specifying whether CUDA should sync or spin loop while waiting for results