GitLab

Improved error checking when specifying an OpenCL device

Fix travis build failures

Improved identification of chain IDs in PDBx/mmCIF files

Converted BAOABLangevinIntegrator to LangevinMiddleIntegrator

PDBxFile marks heterogens with HETATM

NonbondedForce can optionally apply periodic boundary conditions to exceptions

fix performance issue when use Drude force with velocity-verlet integrator

Add chain break when either auth_asym_id or label_asym_id changes

Fixed incorrect indexing in kernel

Replace nonstandard atom and residue names when loading PSF files

Implemented switchDistance option for GromacsTopFile

Fixed inconsistency between plaforms in constraints with CustomIntegrator

Catch exception when an OpenCL platform has no devices

Fixed error on CPU platform when forces disagree about whether the system is periodic

Windows tests on Azure