GitLab

Added missing required kernel names to check of platform capabilities.

Added missing required kernel names (ApplyConstraintsKernel and VirtualSitesKernel) to check for platform capabilities, since these kernels are initialized in the next code block.

Add GBn2 to the simtk.openmm.app namespace and correct unit handling of implicitSolventKappa

implicitSolventKappa = implicitSolventKappa.value_in_unit(1/units.nanometers)

will always fail. The only solution I've found is to take the unit of the
quantity. i.e.:

implicitSolventKappa = implicitSolventKappa.value_in_unit((1/units.nanometers).unit)

references.

Add a salt concentration term to the custom GB forces

convert the number to pure nanometers before using it in the GB code.

Parallelized summing the forces from different threads

Parallelized LangevinIntegrator for CPU platform

Bug fixes

CPU platform can use AVX when available

"kappa" keyword to the Amber createSystem method call to allow users to specify
it.

Fixed some incorrect parameters in SWM4-NDP water model

Detect if user specifies an unknown property name

Reimplemented C/Fortran wrapper generation

Reference implementation of AndersenThermostat did not handle massless particles correctly

All code is compiled with SSE enabled.  This eliminates errors with some compilers.

Plugins work with CPU platform