GitLab

I have made things more technically correct: GROMACS processes pairs
and exclusions separately.  Also added proper support for fudgeLJ term.
Also added improved gro file parsing (technically it’s a fixed-field
format but this works too).

These lines were missed previously

This is the initial commit of my work in getting OpenMM GROMACS support
improved to the point where SMOG SBM simulations run out-of-the-box.
Further commits will be code cleanup.

Fixed test failure on Windows

Allow docs to build in Sphinx 1.3.1 and 1.5.1

Fixed bugs in multipoles with ZOnly axis type

Add script to build on my Jenkins machine

Let tests run up to 2 hours and have a 5 minute timeout for individual tests.

Can append to DCD files

And protect against possible spaces in directories

Fixed travis badge

Fixed error adding triclinic solvent boxes

Fixed failing tests

Eliminated RealOpenMM

Improved performance of Python State objects

Dispersion PME

Cleanup to cmake scripts

Add Bohrs to units