GitLab

Check dot product between Reference and Cuda forces 
Redid output

Added GCCXML_EXTRA_ARGS variable to work around brittle gccxml incorporation.

Better search for svnversion.exe on Windows

Deleted all the old hand-generated wrappers.

Created #define for LOCAL_HACK_PI to sidestep bug on Windows cuda compiler which ignores "static const float ..." variables.
In files kCalculateCDLJEwaldFastReciprocal.h, kCalculateCDLJForces.h and kCalculateLocalForces.cu.

The differences in the Ewald energies between the Reference and Cuda platforms were traced to roundoff error in the 
computation of the Vdw and Coulomb ixns for the short-range energy contribution (verified using double precision in the sum); the vdw and Coulomb terms are now accumulated separately and then added to the total energy 

In Ewald SR portion of code, the LJ contribution to dEdR was missing a factor of (inverseR*inverseR)

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