switched SimInfo to use a system configuration from SimState rather than arrays from Atom
add index range checking into ZConstraint
Added Z constraint.
Fixed a current time initialization bug in InitFromFile.
some initial changes to Dumpwriter and friends to accomadate random file access
Started work on a DumpReader
Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
more fixes for box changes
found a bug. Unit vectors were not being updated
Bunch of 1-d array -> 2-d array stuff
NPTi
fixed the bugs introduced by switching the periodic box to a matrix
working on adding the box matrix to everything.
Updated the ChangeLog, and Converted most of the SImInfo to use non-Isotropic boxes. wrapVector needs to be finished.
currently modifiying Symplectic to become the basic integrator.
fixes for NPT and NVT
Changes for Extended System
Fixes for ExtendedSystem
fixed a few more bugs.
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
still working on the SimSetup routine. also fixed some things in Exclude.hpp
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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