Fixing cutoff groups
Fixed a parallel bug in computing exclude lists. Added file versioning information in MD files. Still tracking down cutoff group bugs.
removed spurious prints, fixed one bug, but there's still a parallel problem
Fixes
bug fixes
bug fixes.
Bug squashing
Well, the potential energy values are still garbage, but the LJ sample runs.
bug fixes
bug fixes (not done yet)
migrating cutoff information from InteractionManager to ForceManager
more parallel fixes
Added Atypes to new C++ force decomposition.
Added neighbor list check, and migrated skinThickness into ForceDecomposition (and out of the InteractionManager). Removed a spurious inline.
For efficiency, pointers instead of objects will be passed during main force loop.
more fortran removal
a few more tweaks We're getting somewhat closer to deleting fortran.
still busted, but much progress
More modifications for paralllel rewrite
forgot one method
compiles, builds and runs, but is very slow
Well, it compiles and builds, but still has a bus error at runtime.
Added MAW to the C++ side, removed a whole bunch more fortran.
Moved switching functions and force options over to the C++ side, and removed them from Fortran.
fixes
Doesn't build yet, but getting much closer...
Less busted than it was on last check-in, but still won't completely build.
The C++ side now compiles. Moving on to doForces
Many changes, and we're not quite done with this phase yet.
Starting migration of Morse to C++
Migrating Sutton-Chen from Fortran over to C++
Converting Sticky over to C++
Added GB module to the C++ side, got rid of it on the fortran side.
Fixed a bug in EAM. Seems to work now!
fixed phi mixing
no longer segfaults
Added EAM. Still segfaults but compiles.
busticated EAM
fixed some destructor bugs dealing with the TypeContainers
fixing c/fortran bugs
fixing calls
Added nonbonded directory. Compiles, links, runs, but gives incorrect answer.