GitLab

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 CMake script for generating API wrappers.  Also updated the wrapper scripts to handle vector<double>.

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

Updated examples and snapshot of wrappers to what I think is their final form. Fortran no longer uses a RuntimeObjects structure; instead it passes around an opaque handle directly to the Context.

Fix Makefile to set gfortran flag that allows lines of any length to accommodate the machine-generated Fortran module.

Upgrade examples to track Peter's automatically-generated C and Fortran bindings. These are still using a snapshot of the wrappers, slightly hand modified, but they are much closer to the final ones now. When the automated ones are ready and part of the build, these checked-in ones will no longer be necessary.