Corrected spelling in several directories, and stated WATER.cpp
Changes for adding direct charge-charge interactions (with switching function)
replace c++ header stuff with more portable c header stuff Also, mod file fixes and portability changes Some fortran changes will need to be reversed.
currently modifiying Symplectic to become the basic integrator.
added Ghost bends to the TraPPE_Ex forceField
Bug fixes for simulation module rewrites
fixed a possible call before initialize bug.
fixed some small things with simError.h
Fixed a bug where MPI was not getting the proper atomIdents.
Fixes in MPI force calc and in Trappe_Ex parsing.
mpi fixes and debugging mpi read write from file.
fixed long range interactions in Trappe
fixed the compile time bugs, Source builds and links
finished conversion of TraPPE_ExFF to use Molecule
LJ_FF has been converted to the new Molecule model. TraPPE_Ex is currently being updated. SimSetups routines are writtten, but not yet called.
electrostatic changes for dipole / RF separation
various write statements for debugging
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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