GitLab

Reworked the Ethane example to use the same structure as the NaCl one, and made a few minor changes to NaCl too.

(1) Changed HelloArgon to avoid use of now-obsolete context.getTime() to avoid future problems with variable step integration.
(2) Added HelloArgonInC.

Decreased step size and simulation time

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.