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Revision 283 - Directory Listing - [select for diffs]
Modified Mon Feb 24 21:27:57 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 281 
Added simulation struct...
Revision 281 - Directory Listing - [select for diffs]
Modified Mon Feb 24 21:25:15 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 253 
Changes they are a comming....
Revision 253 - Directory Listing - [select for diffs]
Modified Thu Jan 30 15:20:21 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 250 
Added a generic util code directory and moved Linux_ifc_machdep to it.
MPI changes to compile MPI modules.
Revision 250 - Directory Listing - [select for diffs]
Modified Mon Jan 27 22:12:57 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 249 
More bug fixes... Forgot to build sprng
Revision 249 - Directory Listing - [select for diffs]
Modified Mon Jan 27 21:28:19 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 248 
For some unknown reason the Single processor builds. Has not been tested!
Revision 248 - Directory Listing - [select for diffs]
Modified Mon Jan 27 19:28:21 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 244 
final version before the single processor build
Revision 244 - Directory Listing - [select for diffs]
Modified Fri Jan 24 21:25:04 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 242 
added the fortran function wrapping to the mpiSim class
Revision 242 - Directory Listing - [select for diffs]
Modified Thu Jan 23 16:21:04 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 240 
added wrapping of fortran to a private function of SimInfo
Revision 240 - Directory Listing - [select for diffs]
Modified Wed Jan 22 21:45:20 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 239 
Added init function to c++ force module.
Revision 239 - Directory Listing - [select for diffs]
Modified Mon Jan 20 22:36:12 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 237 
More changes to lj_ff. Force loop almost ready.
Revision 237 - Directory Listing - [select for diffs]
Modified Fri Jan 17 21:53:33 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 233 
added some stuf to implement thefortran interface in LJ_FF
Revision 233 - Directory Listing - [select for diffs]
Modified Fri Jan 10 21:55:45 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 231 
tarted some additions to wrap LJ down to fortran. INCOMPLETE!
Revision 231 - Directory Listing - [select for diffs]
Modified Thu Jan 9 21:31:16 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 225 
starting down the crooked path of the fornographer.
Revision 225 - Directory Listing - [select for diffs]
Modified Wed Jan 8 21:54:20 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 223 
fixed up LJ_FF
Revision 223 - Directory Listing - [select for diffs]
Modified Fri Jan 3 22:04:50 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 221 
Finished thermo and randomSPRNG classes.
Revision 221 - Directory Listing - [select for diffs]
Modified Thu Jan 2 20:14:08 2003 UTC (21 years, 6 months ago) by chuckv
Diff to previous 220 
Thermo now can use SPRNG or rand48 (if not MPI).
Finished up work on randomSPRNG. Still need to fix
access to MPISimulation.
Revision 220 - Directory Listing - [select for diffs]
Modified Mon Dec 30 16:20:42 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 218 
Added more code to randomSPRNG classes.
Revision 218 - Directory Listing - [select for diffs]
Modified Sun Dec 29 19:11:05 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 217 
Changed thermo getKinetic and getPotential for MPI.
Added header for SPRNG random number generator class.
Revision 217 - Directory Listing - [select for diffs]
Modified Sun Dec 29 18:13:23 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 215 
Added SPRNG header file.
Revision 215 - Directory Listing - [select for diffs]
Modified Thu Dec 19 21:59:51 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 213 
+ added lennard-jones force module and corresponding class.
+ created forceFactory directory.
Revision 213 - Directory Listing - [select for diffs]
Modified Mon Dec 16 21:42:11 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 208 
finishing work on making DumpWriter parrallel
Revision 208 - Directory Listing - [select for diffs]
Modified Fri Dec 13 17:59:48 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 206 
added the pareDumpLine routine to the Initialize from File class
Revision 206 - Directory Listing - [select for diffs]
Modified Thu Dec 12 21:21:59 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 204 
Initial mpi io conversion.
Revision 204 - Directory Listing - [select for diffs]
Modified Tue Dec 10 22:15:00 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 203 
fixed typo with #ifdef.
Revision 203 - Directory Listing - [select for diffs]
Modified Tue Dec 10 22:09:44 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 201 
Added mpiComponentPlan.h a dual fortran c header file defining mpi
simulation parameters for both c and fortran.
Revision 201 - Directory Listing - [select for diffs]
Modified Tue Dec 10 21:41:23 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 199 

 made some shanges to streamline the setup in SimSetup
Revision 199 - Directory Listing - [select for diffs]
Modified Mon Dec 9 20:54:38 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 197 
cleaned up the divideLabour interface to use the information about Moleculestamps in the entryPlug.
Revision 197 - Directory Listing - [select for diffs]
Modified Fri Dec 6 21:20:39 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 196 
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.
Revision 196 - Directory Listing - [select for diffs]
Modified Thu Dec 5 21:37:51 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 195 

Working on the clean removal of key Molecule stamps from the Hash table.
stamps will be moved into a persitient linked list.
Revision 195 - Directory Listing - [select for diffs]
Modified Thu Dec 5 18:53:40 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 194 
Added divideLabor.
Revision 194 - Directory Listing - [select for diffs]
Modified Wed Dec 4 21:19:38 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 192 
First addition of mpiDivideLabor to split mpi simulation among processors.
Revision 192 - Directory Listing - [select for diffs]
Modified Wed Dec 4 19:40:23 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 191 
added files to divide the molecules among the processes.
Revision 191 - Directory Listing - [select for diffs]
Modified Mon Dec 2 19:12:42 2002 UTC (21 years, 7 months ago) by chuckv
Diff to previous 190 
Addition of c wrapper header for for fortran module proceedures.
Revision 190 - Directory Listing - [select for diffs]
Modified Tue Nov 26 21:12:04 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 189 
some quick optimizations to the indexing in the storage arrays
Revision 189 - Directory Listing - [select for diffs]
Modified Tue Nov 26 21:04:43 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 184 
*** empty log message ***
Revision 184 - Directory Listing - [select for diffs]
Modified Thu Nov 21 20:33:06 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 181 
*** empty log message ***
Revision 181 - Directory Listing - [select for diffs]
Modified Tue Nov 19 20:06:05 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 178 
added simError.h to the makefile
Revision 178 - Directory Listing - [select for diffs]
Modified Mon Nov 18 21:24:02 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 176 
*** empty log message ***
Revision 176 - Directory Listing - [select for diffs]
Modified Thu Nov 14 22:00:44 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 166 
*** empty log message ***
Revision 166 - Directory Listing - [select for diffs]
Modified Thu Nov 7 17:53:34 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 164 
*** empty log message ***
Revision 164 - Directory Listing - [select for diffs]
Modified Tue Nov 5 22:04:46 2002 UTC (21 years, 7 months ago) by mmeineke
Diff to previous 155 
*** empty log message ***
Revision 155 - Directory Listing - [select for diffs]
Modified Thu Oct 24 20:40:49 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 153 
finished work on the error handling struct and functions
Revision 153 - Directory Listing - [select for diffs]
Modified Tue Oct 22 22:12:39 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 151 
started work on a global error handling scheme
Revision 151 - Directory Listing - [select for diffs]
Modified Mon Oct 21 22:02:53 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 149 
making further modifications to make FOrceField objects mpi aware
Revision 149 - Directory Listing - [select for diffs]
Modified Fri Oct 18 21:20:23 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 148 

more tinkering with the forcefield event loop
Revision 148 - Directory Listing - [select for diffs]
Modified Fri Oct 18 20:35:53 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 143 
minor revisions
Revision 143 - Directory Listing - [select for diffs]
Modified Thu Oct 17 21:58:55 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 140 

Changing internal storage of positions, torqes, forces, velocities, etc.
Revision 140 - Directory Listing - [select for diffs]
Modified Wed Oct 16 22:24:26 2002 UTC (21 years, 8 months ago) by chuckv
Diff to previous 139 

adding ForceField mpi awareness
Revision 139 - Directory Listing - [select for diffs]
Modified Wed Oct 16 21:07:16 2002 UTC (21 years, 8 months ago) by chuckv
Diff to previous 136 
*** empty log message ***
Revision 136 - Directory Listing - [select for diffs]
Modified Wed Oct 16 20:01:53 2002 UTC (21 years, 8 months ago) by chuckv
Diff to previous 135 
Added lhs of assignments..
Revision 135 - Directory Listing - [select for diffs]
Modified Fri Oct 11 17:29:40 2002 UTC (21 years, 8 months ago) by chuckv
Diff to previous 134 
Fixed double inclusion of mpiBASSEventType with define in
header file.
Revision 134 - Directory Listing - [select for diffs]
Modified Fri Oct 11 15:09:09 2002 UTC (21 years, 8 months ago) by chuckv
Diff to previous 131 
*** empty log message ***
Revision 131 - Directory Listing - [select for diffs]
Modified Wed Oct 9 22:29:40 2002 UTC (21 years, 8 months ago) by chuckv
Diff to previous 127 
*** empty log message ***
Revision 127 - Directory Listing - [select for diffs]
Modified Thu Oct 3 21:52:39 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 125 

added stamp and template diagnostic features
Revision 125 - Directory Listing - [select for diffs]
Modified Mon Sep 30 21:10:27 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 124 
*** empty log message ***
Revision 124 - Directory Listing - [select for diffs]
Modified Mon Sep 30 20:35:42 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 121 
*** empty log message ***
Revision 121 - Directory Listing - [select for diffs]
Modified Mon Sep 30 19:36:00 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 120 
Initial mpi support
Revision 120 - Directory Listing - [select for diffs]
Modified Thu Sep 26 21:36:19 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 119 
Addition of mpiInterface to code base.
Revision 119 - Directory Listing - [select for diffs]
Modified Thu Sep 26 21:34:35 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 118 
First stab at passing base events to mpi....
Revision 118 - Directory Listing - [select for diffs]
Modified Wed Sep 25 22:51:14 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 117 
begin the pain that is MPI.

abandon all hope ye who check out this branch..

P.S. we've added consistent BASS error checking
Revision 117 - Directory Listing - [select for diffs]
Modified Tue Sep 24 22:10:55 2002 UTC (21 years, 9 months ago) by mmeineke
Diff to previous 112 
fixed allot of warnings, and adde the molecule
Revision 112 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:12:42 2002 UTC (21 years, 9 months ago) by mmeineke
Diff to previous 30 
starting work on the molecule class
Revision 30 - Directory Listing - [select for diffs]
Modified Tue Jul 16 21:10:49 2002 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 11 
added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition
Revision 11 - Directory Listing - [select for diffs]
Added Tue Jul 9 18:40:59 2002 UTC (21 years, 11 months ago) by mmeineke 
This commit was generated by cvs2svn to compensate for changes in r10, which
included commits to RCS files with non-trunk default branches.

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