GitLab

Note that I'm also modifying pyopenmm to be aware of this change.

Modified OpenCL include search path for Linux.

Added discussion of long range dispersion correction and updated discussion of step size selection for MonteCarloBarostat.

Fixed bug where MonteCarloBarostat would leave molecules seeming to be outside the first periodic box

Fixed same pressure unit conversion error in MonteCarloBarostatImpl.cpp that occurs in tests.  Tests now pass.

Fixed unit conversion bug in Monte Carlo barostat where pV work was being divided by a factor of AVOGADRO*1e-25 (kJ/mol)/(bar nm^3), rather than multiplied by it.
Checking this bug in since Peter Eastman is on vacation; he should double-check the fix upon return.