GitLab

Cleanup to cmake scripts

Add Bohrs to units

Use lambdas for thread pool tasks

Optimizations to updateParametersInContext()

Fixed memory leaks when minimizer fails

Fix substeps division in MTSIntegrator

Trivial changes to AMOEBA plugin.

Fix compilation errors in static builds on Windows

Fixed bug applying periodic boundary conditions to interaction groups

CUDA Extrapolated polaraization test now obeys precision argument, and handles finite difference checks appropriately.

o Variable renaming in multipole electrostatics code, to avoid confusion.
o CUDA test case only runs finite difference test for the double precision test.

Minor improvements to Vagrant configuration

Fix handling of scientific notation for field 7 in torsions in certain GROMACS topologies

Documentation updates for 7.1

Fix for errors on Pascal GPUs

Update travis s3 credentials

Fixed bug in building neighbor list

Avoid adding hydrogens at same location