added strncpy to DumpWriter
First Stab at fixing DumpWriter
Fixed a bug of sending message from master node to itself in DumpWriter.cpp and InitializeFromFile.cpp
add chi and eta to the comment line of dump file.
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.
Changed DumpReader to use linked lists instead of a vector. Fixed the makefile to build DumpReader.cpp Removed a comment output in Exclude.cpp Modified DumpWriter and Integrator to write an eor file every time a frame is written. This lets the .eor file represent the last written frame of a simulation.
cleaned things with gcc -Wall and g++ -Wall
added define statemewnt to Statwriter and Dumpwriter to handle files larger than 2 gb. commented out some print statements in Zconstraint
switched SimInfo to use a system configuration from SimState rather than arrays from Atom
Fixed hmat in DumpWriter (MPI) and eor.
fixed some bugs
Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.
fixed the bugs introduced by switching the periodic box to a matrix
fixes for NPT and NVT
bug fixes
just little things like deleteing unused variables and such.
fixed some small things with simError.h
Fixed DumpWriter to be more robust to errors. also added a little namespace to InitFromFile to wrap it's helper functions in MPI
bug fix in DumpWriter.cpp
Bug fixes in read-write routines.
mpi fixes and debugging mpi read write from file.
fixes for local->global atom numbering in MPI
Fixes to fileio for MPI
bug fixes many bug fixes
Making DumpWriter less dependent on sequence of atoms on the other processors. Node 0 now fires potatoes at other processors to get them to send french fries back.
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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