GitLab

Fixes uninitialized bits occurring in the PaddedNumAtoms regions by properly constructing them. This should hopefully get rid of some of the NaN errors we've been seeing.

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.  This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.

OpenCLArray is no longer templatized and doesn't provide a host buffer.  This is in preparation for adding mixed/double precision support.

NonbondedForce::updateParametersInContext() is more tolerant about what changes to exceptions it allows

Variable time step integrators correctly report the size of the last step taken.  Also improved accuracy of integration unit tests.

NonbondedForce sometimes included energy terms that weren't appropriate to the specified force groups