The OpenFMS code is based on the FMS-TeraChem-Simple branch, and has been significantly pruned and refactored.
It currently contains the MPI interface to TeraChem and various analytical (toy) potentials.
In order to make to code more lean and maintainable, we removed the functionality that was broken, not actively used (to our knowledge), or hard to maintain.
If you were using some of the functionality noted below, please get in touch and we can put it back, thanks!
- Columbus, Molpro and Gamess interfaces
- QM/MM functionality (Tinker, Amber)
- Grow module (Interpolated PES)
- Umbrella sampling
- MPI module
- and others (if you're missing something, let us know!)
The OpenFMS code is based on the
FMS-TeraChem-Simplebranch, and has been significantly pruned and refactored.It currently contains the MPI interface to TeraChem and various analytical (toy) potentials.
In order to make to code more lean and maintainable, we removed the functionality that was broken, not actively used (to our knowledge), or hard to maintain.
If you were using some of the functionality noted below, please get in touch and we can put it back, thanks!