GitLab

No commit message

Thanks to Chris, we now know that the Langevin friction parameter is in ONE OVER picoseconds, NOT picoseconds!!

Checkin CMake for building the C wrappers. Checkin first attempt at Fortran 95 interface in the form of an OpenMM module. I don't know any way to build this with CMake.

Check in early attempt at NaCl example in Fortran; needs to be modified to match the latest C++ and C examples.

This is the "final" version of the HelloSodiumChloride example in C++. It has now been reorganized to put all the OpenMM calls in a few high-level functions whose interfaces do not use OpenMM. Also, the periodic box is gone with GBSA implicit solvation in place instead.

Per workshop dryrun, leave OpenMM:: namespace prefix explicit to clarify what's part of OpenMM and what's not.

I'm checking in very early attempts at OpenMM Hello World examples so Chris and I can work on them together.