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Revision 284 - Directory Listing - [select for diffs]
Modified Tue Feb 25 21:30:09 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 281 
Added neighbor list module that auto expands...
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 266 
Changes they are a comming....
Revision 266 - Directory Listing - [select for diffs]
Modified Wed Feb 12 16:25:39 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 265 
Added SSD atypes.
Revision 265 - Directory Listing - [select for diffs]
Modified Wed Feb 12 16:21:26 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 264 
Initial commit of ssd force module.
Revision 264 - Directory Listing - [select for diffs]
Modified Tue Feb 4 20:16:08 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 261 
Fixed bug with pot energy.
Revision 261 - Directory Listing - [select for diffs]
Modified Mon Feb 3 21:15:59 2003 UTC (21 years, 4 months ago) by chuckv
Diff to previous 260 
We have working code today... MPI bug fixes to DumpWriter.
Revision 260 - Directory Listing - [select for diffs]
Modified Fri Jan 31 21:04:27 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 258 
Fixed some bugs, made some more.
Revision 258 - Directory Listing - [select for diffs]
Modified Thu Jan 30 22:29:37 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 256 
*** empty log message ***
Revision 256 - Directory Listing - [select for diffs]
Modified Thu Jan 30 20:32:45 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 254 
fixed a bug in the final eor file.
Revision 254 - Directory Listing - [select for diffs]
Modified Thu Jan 30 20:03:37 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 253 
Bug fixes for mpi version of code
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 252 
Added a generic util code directory and moved Linux_ifc_machdep to it.
MPI changes to compile MPI modules.
Revision 252 - Directory Listing - [select for diffs]
Modified Tue Jan 28 22:16:55 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 250 
Force loops seems to work, velocitize never being called....
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 247 
final version before the single processor build
Revision 247 - Directory Listing - [select for diffs]
Modified Mon Jan 27 18:28:11 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 246 
added generic atypes
Revision 246 - Directory Listing - [select for diffs]
Modified Fri Jan 24 21:36:52 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 245 
lj_FF.F90 and simulation_module now compile. Logical bug still
exists in lj_FF.F90 lj_atypes_list.
Revision 245 - Directory Listing - [select for diffs]
Modified Fri Jan 24 21:25:08 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 243 
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Revision 243 - Directory Listing - [select for diffs]
Modified Thu Jan 23 16:21:09 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 241 
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Revision 241 - Directory Listing - [select for diffs]
Modified Thu Jan 23 16:19:59 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 240 
modified the box vairable on setSimulation to be a length 3 array
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 238 
More changes to lj_ff. Force loop almost ready.
Revision 238 - Directory Listing - [select for diffs]
Modified Fri Jan 17 21:53:36 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 235 
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Revision 235 - Directory Listing - [select for diffs]
Modified Fri Jan 10 21:56:10 2003 UTC (21 years, 5 months ago) by mmeineke
Diff to previous 232 
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Revision 232 - Directory Listing - [select for diffs]
Modified Fri Jan 10 17:27:28 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 231 
A few more changes to force loop.
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 230 
starting down the crooked path of the fornographer.
Revision 230 - Directory Listing - [select for diffs]
Modified Thu Jan 9 19:40:38 2003 UTC (21 years, 5 months ago) by chuckv
Diff to previous 223 
More changes to 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 222 
Finished thermo and randomSPRNG classes.
Revision 222 - Directory Listing - [select for diffs]
Modified Thu Jan 2 21:45:45 2003 UTC (21 years, 6 months ago) by chuckv
Diff to previous 221 
More codeing on fortran force backend.
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 219 
Added more code to randomSPRNG classes.
Revision 219 - Directory Listing - [select for diffs]
Modified Sun Dec 29 19:12:06 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 218 
Added classes to handle random number generation.
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 216 
Changed thermo getKinetic and getPotential for MPI.
Added header for SPRNG random number generator class.
Revision 216 - Directory Listing - [select for diffs]
Modified Sun Dec 29 16:43:11 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 215 
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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 214 
+ added lennard-jones force module and corresponding class.
+ created forceFactory directory.
Revision 214 - Directory Listing - [select for diffs]
Modified Mon Dec 16 21:42:14 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 212 
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Revision 212 - Directory Listing - [select for diffs]
Modified Fri Dec 13 21:17:00 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 211 
Added mpi to InitializeFromFile read in.
Revision 211 - Directory Listing - [select for diffs]
Modified Fri Dec 13 19:15:57 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 210 
Added replan of gather-scatter routines for future load balancing.
Revision 210 - Directory Listing - [select for diffs]
Modified Fri Dec 13 18:06:58 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 209 
Finished updating mpiSimulation to work with c++.
Revision 209 - Directory Listing - [select for diffs]
Modified Fri Dec 13 17:59:52 2002 UTC (21 years, 6 months ago) by mmeineke
Diff to previous 207 
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Revision 207 - Directory Listing - [select for diffs]
Modified Fri Dec 13 16:51:23 2002 UTC (21 years, 6 months ago) by chuckv
Diff to previous 206 
Changed name of mpi_force_module to mpiSimulation to match with C++ code.
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 203 
Initial mpi io conversion.
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 194 
Added mpiComponentPlan.h a dual fortran c header file defining mpi
simulation parameters for both c and fortran.
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 191 
First addition of mpiDivideLabor to split mpi simulation among processors.
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 189 
Addition of c wrapper header for for fortran module proceedures.
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 185 
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Revision 185 - Directory Listing - [select for diffs]
Modified Fri Nov 22 20:39:33 2002 UTC (21 years, 7 months ago) by chuckv
Diff to previous 184 
Initial commit of wrappers for fortran module proceedures.
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 178 
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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 174 
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Revision 174 - Directory Listing - [select for diffs]
Modified Mon Nov 11 22:35:41 2002 UTC (21 years, 7 months ago) by chuckv
Diff to previous 169 
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Revision 169 - Directory Listing - [select for diffs]
Modified Fri Nov 8 20:05:44 2002 UTC (21 years, 7 months ago) by chuckv
Diff to previous 168 
MPI Force rewrite in progress...
Revision 168 - Directory Listing - [select for diffs]
Modified Fri Nov 8 15:01:43 2002 UTC (21 years, 7 months ago) by chuckv
Diff to previous 167 
Initial commit of mpi routines for force decomposition.
Revision 167 - Directory Listing - [select for diffs]
Modified Fri Nov 8 14:21:52 2002 UTC (21 years, 7 months ago) by chuckv
Diff to previous 162 
First commit of mpi force code.
Revision 162 - Directory Listing - [select for diffs]
Modified Thu Oct 31 21:20:49 2002 UTC (21 years, 8 months ago) by mmeineke
Diff to previous 134 
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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 
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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 126 
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Revision 126 - Directory Listing - [select for diffs]
Modified Thu Oct 3 20:12:15 2002 UTC (21 years, 9 months ago) by chuckv
Diff to previous 117 
Added make include.
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 114 
fixed allot of warnings, and adde the molecule
Revision 114 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:13:10 2002 UTC (21 years, 9 months ago) by mmeineke
Diff to previous 31 
starting work on the molecule class

starting to add in the molecule class


adding in the molecule class
Revision 31 - Directory Listing - [select for diffs]
Modified Tue Jul 16 21:38:22 2002 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 30 
fixed a bug in getA( double the_A[3][3] );
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 25 
added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition
Revision 25 - Directory Listing - [select for diffs]
Modified Tue Jul 9 21:46:32 2002 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 11 
fixed a precision error in the calculation of the temperature.
Also fixed the order that dump file are written.
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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