Changes...
Changed to single version. No change.
We have working code today... MPI bug fixes to DumpWriter.
MPI is Broooooken. Saving poor state so I know where to begin with.
Bug fixes for mpi version of code
Added a generic util code directory and moved Linux_ifc_machdep to it. MPI changes to compile MPI modules.
Force loops seems to work, velocitize never being called....
For some unknown reason the Single processor builds. Has not been tested!
final version before the single processor build
Added init function to c++ force module.
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this completes the addition of fvortran function wrapping into the LJ_FF class.
started some additions to wrap LJ down to fortran. INCOMPLETE!
starting down the crooked path of the fornographer.
More changes to lj_FF.
fixed up the LJ_FF implementation. It is now the standard for building a force routine.
+ added lennard-jones force module and corresponding class. + created forceFactory directory.
Initial mpi io conversion.
finished adding in the code to divide and set up the atoms and such across all of the processors.
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Working on the clean removal of key Molecule stamps from the Hash table. stamps will be moved into a persitient linked list.
Added divideLabor.
First addition of mpiDivideLabor to split mpi simulation among processors.
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more minor changes to the mpi structs
finished adding in the extra structures needed to pass info through mpi. Still need to add the implementation.
finished adding the static storage arrays to the atom class
Changing internal storage of positions, torqes, forces, velocities, etc. not sure here, still working
adding ForceField mpi awareness adding mpi FOrceField awareness
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quick bug fix to bassDiag
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Added make include.
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Addition of mpiInterface to code base.
begin the pain that is MPI. abandon all hope ye who check out this branch.. P.S. we've added consistent BASS error checking
fixed allot of warnings, and adde the molecule
starting work on the molecule class starting to add in the molecule class
This commit was generated by cvs2svn to compensate for changes in r10, which included commits to RCS files with non-trunk default branches.