• Jason Swails's avatar
    Fix a handful of issues -- Reference Amoeba plugin now builds and finishes the · 72f99830
    Jason Swails authored
    stretch-bend test correctly.
    
    The potential energy calculation done in the ReferenceStretchBendTest file was
    updated to mirror that of the Reference kernel, but first I made sure that the
    test passed *before* updating to the new energy expression, just to make sure
    that the energies and forces didn't *change* with the new expression.
    72f99830
AmoebaReferenceKernels.cpp 54.2 KB