GitLab

Add support for long long shuffle

Improved infrastructure for integrators

Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated.  This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.

Bug fixes to use of shuffle

Completed implementation of DrudeSCFIntegrator.  Also cleaned up other details of Drude plugin.

Nonbonded.cu now uses shuffle intrinsic

Fixed linker errors on Windows

Fixes to a couple of bugs (in CustomIntegrator and DrudeLangevinIntegrator)

Most of the features to support Drude particles are now complete and functional

Readme md