mpi fixes and debugging mpi read write from file.
MPI buggy, fixed mpiRefresh issue.
fixed a bug where excludes were not being initialized
Fixed a single processor segfault bug.
fixed a few more bugs.
fixing some compile time bugs
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
LJ_FF has been converted to the new Molecule model. TraPPE_Ex is currently being updated. SimSetups routines are writtten, but not yet called.
the skeleton for making the molecules is in place. ForceField needs to be updated next.
still working on the SimSetup routine. also fixed some things in Exclude.hpp
I'm overhauling the molecule class to contain it's own bonds, bends, and torsions. may god have mercy on my soul.
electrostatic changes for dipole / RF separation
This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
New OOPSE Tree
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