new implement of quickLate using visitor and composite pattern
Change DumpWriter and InitFromFile
add LARGEFILE_SOURCE64 macro to support large file
Adding zsub, a program which can be used to replace atom type for zconstraint into OOPSE
open and close the eor file whenever it is used instead of rewinding it
change the interface of writeFrame
Merge the code of writeFinal and writeDump; Adding sortingIndex into DumpWriter; Fix a bug of writing last frame twice in integrator
add chi and eta to the comment line of dump file.
fixes for compatibility
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.
More bug fixes for eam.
working on the props code
added the scan function to the DumpReader. It should now save the start of each frame in a vector.
making some changes to read dump files
Fixed a current time initialization bug in InitFromFile.
fixed Initializefrom file to start the simulation from the time specified in the init file.
Started work on a DumpReader
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
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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