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Revision 427 - Directory Listing - [select for diffs]
Modified Thu Mar 27 20:48:37 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 426 
fixed a few more bugs.
Revision 426 - Directory Listing - [select for diffs]
Modified Thu Mar 27 20:40:01 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 425 
added the Molecule.cpp file
Revision 425 - Directory Listing - [select for diffs]
Modified Thu Mar 27 20:39:09 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 424 
 fixed the makefile
Revision 424 - Directory Listing - [select for diffs]
Modified Thu Mar 27 20:36:16 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 423 
fixing some compile time bugs
Revision 423 - Directory Listing - [select for diffs]
Modified Thu Mar 27 20:12:15 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 422 
I have implemeted Molecules everywhere I could remember to.
will now attempt to compile.
Revision 422 - Directory Listing - [select for diffs]
Modified Thu Mar 27 19:21:42 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 421 
finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
Revision 421 - Directory Listing - [select for diffs]
Modified Thu Mar 27 17:55:20 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 420 
finished conversion of TraPPE_ExFF to use Molecule
Revision 420 - Directory Listing - [select for diffs]
Modified Thu Mar 27 17:32:03 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 419 
LJ_FF has been converted to the new Molecule model. TraPPE_Ex is currently being updated.
SimSetups routines are writtten, but not yet called.
Revision 419 - Directory Listing - [select for diffs]
Modified Thu Mar 27 15:07:29 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 418 
fixes for local->global atom numbering in MPI
Revision 418 - Directory Listing - [select for diffs]
Modified Thu Mar 27 14:30:24 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 417 
little bug fixes here and there.
Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 27 01:49:45 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 416 
Fixes to fileio for MPI
Revision 416 - Directory Listing - [select for diffs]
Modified Wed Mar 26 23:14:02 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 415 
bug fixes   many bug fixes
Revision 415 - Directory Listing - [select for diffs]
Modified Wed Mar 26 22:24:49 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 414 
Making DumpWriter less dependent on sequence of atoms on the other
processors.  Node 0 now fires potatoes at other processors to get them
to send french fries back.
Revision 414 - Directory Listing - [select for diffs]
Modified Wed Mar 26 22:02:36 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 413 
the skeleton for making the molecules is in place. ForceField needs to be updated next.
Revision 413 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:54:49 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 412 
fixed a couple of the "static" bugs in  Atom and Exclude
Revision 412 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:50:33 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 411 
still working on the SimSetup routine. also fixed some things in Exclude.hpp
Revision 411 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:24:08 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 410 
Added Atom.cpp and Exclude.cpp
Revision 410 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:23:00 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 409 
Fixes in Atom and Exclude list
Revision 409 - Directory Listing - [select for diffs]
Modified Wed Mar 26 21:04:38 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 408 
Make Atom.cpp able to add and delete ranges of atoms
Revision 408 - Directory Listing - [select for diffs]
Modified Wed Mar 26 20:45:07 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 407 
added an Exclude class with static arrays similar to the Atom class
Revision 407 - Directory Listing - [select for diffs]
Modified Wed Mar 26 20:22:02 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 406 
I'm overhauling the molecule class to contain it's own bonds, bends, and torsions.

may god have mercy on my soul.
Revision 406 - Directory Listing - [select for diffs]
Modified Wed Mar 26 19:34:49 2003 UTC (22 years, 10 months ago) by chuckv
Diff to previous 405 
Finished globalIndex.
Revision 405 - Directory Listing - [select for diffs]
Modified Wed Mar 26 18:02:18 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 404 
MPI stuff for passing out molecules
Revision 404 - Directory Listing - [select for diffs]
Modified Wed Mar 26 16:12:53 2003 UTC (22 years, 10 months ago) by chuckv
Diff to previous 403 
working on load balancing
Revision 403 - Directory Listing - [select for diffs]
Modified Wed Mar 26 15:37:05 2003 UTC (22 years, 10 months ago) by chuckv
Diff to previous 402 
Fixes for Parallel thermalization
Revision 402 - Directory Listing - [select for diffs]
Modified Wed Mar 26 14:55:50 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 401 
fixed an mpi include bug in THermo.cpp
Revision 401 - Directory Listing - [select for diffs]
Modified Tue Mar 25 22:54:16 2003 UTC (22 years, 10 months ago) by chuckv
Diff to previous 400 
Fixed bugs with calculation of potential energy and temperature.
Revision 400 - Directory Listing - [select for diffs]
Modified Tue Mar 25 14:29:12 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 399 
*** empty log message ***
Revision 399 - Directory Listing - [select for diffs]
Modified Tue Mar 25 14:29:06 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 398 
added dummy files to keep the build deirectories from being pruned.
Revision 398 - Directory Listing - [select for diffs]
Modified Tue Mar 25 01:08:02 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 397 
moving tests to samples
Revision 397 - Directory Listing - [select for diffs]
Modified Tue Mar 25 01:06:10 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 396 
moved tests to samples
Revision 396 - Directory Listing - [select for diffs]
Modified Tue Mar 25 00:51:00 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 395 
Tests are becoming samples
Revision 395 - Directory Listing - [select for diffs]
Modified Tue Mar 25 00:47:02 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 394 
Added makefiles in tests directories
Revision 394 - Directory Listing - [select for diffs]
Modified Mon Mar 24 21:55:34 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 393 
electrostatic changes for dipole / RF separation
Revision 393 - Directory Listing - [select for diffs]
Modified Mon Mar 24 18:33:51 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 392 
little bug fixes here and there
Revision 392 - Directory Listing - [select for diffs]
Modified Mon Mar 24 16:04:52 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 391 
added an argon test simulation
Revision 391 - Directory Listing - [select for diffs]
Modified Mon Mar 24 16:02:21 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 390 
*** empty log message ***
Revision 390 - Directory Listing - [select for diffs]
Modified Mon Mar 24 16:02:16 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 389 
added some test bass files for experimenting with
Revision 389 - Directory Listing - [select for diffs]
Modified Mon Mar 24 15:26:05 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 388 
fixed bug where short range interactions were not being calculated.

removed some debug print statements
Revision 388 - Directory Listing - [select for diffs]
Modified Fri Mar 21 22:11:50 2003 UTC (22 years, 10 months ago) by chuckv
Diff to previous 387 
various write statements for debugging
Revision 387 - Directory Listing - [select for diffs]
Modified Fri Mar 21 21:26:59 2003 UTC (22 years, 10 months ago) by chuckv
Diff to previous 386 
added links to the makefile in forceFields
Revision 386 - Directory Listing - [select for diffs]
Modified Fri Mar 21 20:52:11 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 385 
Fixed F_MACH_DEP bug
Revision 385 - Directory Listing - [select for diffs]
Modified Fri Mar 21 20:37:58 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 384 
Makefile fixes, directory re-org, autoconf fixes
Revision 384 - Directory Listing - [select for diffs]
Modified Fri Mar 21 19:58:31 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 383 
Added license file
Revision 383 - Directory Listing - [select for diffs]
Modified Fri Mar 21 19:55:34 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 382 
Fixed makefile
Revision 382 - Directory Listing - [select for diffs]
Modified Fri Mar 21 19:49:13 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 381 
Makefile for forceFields
Revision 381 - Directory Listing - [select for diffs]
Modified Fri Mar 21 19:42:10 2003 UTC (22 years, 10 months ago) by gezelter
Diff to previous 380 
Readme changes
Revision 380 - Directory Listing - [select for diffs]
Modified Fri Mar 21 17:52:48 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 379 
*** empty log message ***
Revision 379 - Directory Listing - [select for diffs]
Modified Fri Mar 21 17:52:35 2003 UTC (22 years, 10 months ago) by mmeineke
Diff to previous 378 
Makefile fixes for depends
Revision 378 - Directory Listing - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (22 years, 10 months ago) by mmeineke 
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

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