GitLab

Commented out some minor optimizations in AMOEBA that were making the forces incorrect.  AMOEBA energies and forces now agree with TINKER to within 1e-9 (fractional energy) 1e-5 (fractional RMS force error) for NPT simulations on rectangular water boxes with PME and direct or mutual polarizability.

Began implementing new mixed precision model that does integration in double precision and force evaluation in single precision

Modified Reference platform of AmoebaVdwForce to handle PBC, cutoffs, tapering and dispersion correction

Modified calculateElectrostaticPotentialForAtomGridPoint_kernel to apply periodic boundary conditions
Unit test for multipole grid potential changed to system comprised of 216 water molecules; 
Tinker potential values now based on PBC

Removed test for system multipoles that included water molecules and ions and replaced w/ system comprised of just water molecules

Continuing to convert AmoebaMultipoleForce: implemented routines to get system multipole moments and potential at grid points.  Some bug fixes.