GitLab

Check if aewald has been set; if not, then call NonbondedForceImpl::calcPMEParameters() to set aewald and grid dimensions

TorsionTorsion grids reordered, if needed, so that first angle is the 'slow' index
Fixes for MonteCarloBarostat 

Fixed problem w/ AmoebaVdwForce.areParticlesIdentical() that was preventing particles from being reordered

WCA force now written directly to cuda.force4 array

Converted CUDAStream SysStream[0] and DevStream[0] references to SysData & Devdata

Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be consistent w/ outlay other plugins, ...

Added diagnostics for handling reorder of atoms

Bug in Urey-Bradley force calculation fixed

Removal SASA code
Versioning introduced in AmoebaTinkerParameterFile
Decomposition of PME forces included in prm files 

Added checks for nonbonded methods
Removed unused functionality from GK force
Moved non-accessor methods from Force classes to ForceImpl classes

Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes to avoid redundant calculations when requesting a State with both forces and energies

Added export for Windows
Format change to accomadate Windows

Removed cubic/quartic per-atom parameters from AmoebaHarmonicBondForce

Modified out-of-plane bend force to improve stability
Redid arguments to kCalculateAmoebaCudaKirkwood to reduce lmem