fixed up LJ_FF
Finished thermo and randomSPRNG classes.
Thermo now can use SPRNG or rand48 (if not MPI). Finished up work on randomSPRNG. Still need to fix access to MPISimulation.
Added more code to randomSPRNG classes.
Changed thermo getKinetic and getPotential for MPI. Added header for SPRNG random number generator class.
Added SPRNG header file.
+ added lennard-jones force module and corresponding class. + created forceFactory directory.
finishing work on making DumpWriter parrallel
added the pareDumpLine routine to the Initialize from File class
Initial mpi io conversion.
fixed typo with #ifdef.
Added mpiComponentPlan.h a dual fortran c header file defining mpi simulation parameters for both c and fortran.
made some shanges to streamline the setup in SimSetup
cleaned up the divideLabour interface to use the information about Moleculestamps in the entryPlug.
added the extraction routines so that the moleculeStamps corresponding to the actual components used in the simulation are now persistent throughout, and accessable through the SimInfo object.
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.
added files to divide the molecules among the processes.
Addition of c wrapper header for for fortran module proceedures.
some quick optimizations to the indexing in the storage arrays
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added simError.h to the makefile
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finished work on the error handling struct and functions
started work on a global error handling scheme
making further modifications to make FOrceField objects mpi aware
more tinkering with the forcefield event loop
minor revisions
Changing internal storage of positions, torqes, forces, velocities, etc.
adding ForceField mpi awareness
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Added lhs of assignments..
Fixed double inclusion of mpiBASSEventType with define in header file.
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added stamp and template diagnostic features
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Initial mpi support
Addition of mpiInterface to code base.
First stab at passing base events to mpi....
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
added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition
This commit was generated by cvs2svn to compensate for changes in r10, which included commits to RCS files with non-trunk default branches.