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Revision 1234 - Directory Listing - [select for diffs]
Modified Fri Jun 4 03:15:31 2004 UTC (21 years, 4 months ago) by tim
Diff to previous 1170 
new rattle algorithm is working
Revision 1170 - Directory Listing - [select for diffs]
Modified Wed May 12 19:45:06 2004 UTC (21 years, 5 months ago) by gezelter
Diff to previous 1162 
const char* fix
Revision 1162 - Directory Listing - [select for diffs]
Modified Tue May 11 22:28:57 2004 UTC (21 years, 5 months ago) by tim
Diff to previous 1128 
adding generic Vector3 class
Revision 1128 - Directory Listing - [select for diffs]
Modified Wed Apr 21 05:32:17 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1126 
remove some useless files
Revision 1126 - Directory Listing - [select for diffs]
Modified Tue Apr 20 05:39:38 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1120 
DUMP2XYZ 0.99 version
Revision 1120 - Directory Listing - [select for diffs]
Modified Mon Apr 19 20:54:58 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1119 
fixed a bug in CompositeVisitor which cause the double counting problem
Revision 1119 - Directory Listing - [select for diffs]
Modified Mon Apr 19 17:44:48 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1118 
Dump2XYZ is almost working except atoms in rigidbody are double counted
Revision 1118 - Directory Listing - [select for diffs]
Modified Mon Apr 19 03:52:27 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1116 
new implement of quickLate using visitor and composite pattern
Revision 1116 - Directory Listing - [select for diffs]
Modified Thu Apr 15 22:15:21 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1108 
fix a bug in setting exclude list
Revision 1108 - Directory Listing - [select for diffs]
Modified Wed Apr 14 15:37:41 2004 UTC (21 years, 6 months ago) by tim
Diff to previous 1099 
Change DumpWriter and InitFromFile
Revision 1099 - Directory Listing - [select for diffs]
Modified Mon Apr 12 20:33:12 2004 UTC (21 years, 6 months ago) by gezelter
Diff to previous 1075 
Changes for RigidBody dynamics
Revision 1075 - Directory Listing - [select for diffs]
Modified Mon Mar 1 21:17:27 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 1074 
Fix a couple of bugs in zsub
Revision 1074 - Directory Listing - [select for diffs]
Modified Mon Mar 1 20:01:50 2004 UTC (21 years, 7 months ago) by tim
Diff to previous 986 
Adding zsub, a program which can be used to replace atom type for zconstraint into OOPSE
Revision 986 - Directory Listing - [select for diffs]
Modified Mon Jan 26 22:01:23 2004 UTC (21 years, 9 months ago) by gezelter
Diff to previous 943 
Changes to BASS reader to use Euler angles for orientation instead of
unit vectors required changes in MoLocator
Revision 943 - Directory Listing - [select for diffs]
Modified Wed Jan 14 16:28:37 2004 UTC (21 years, 9 months ago) by mmeineke
Diff to previous 886 
fixed a periodic box bug
Revision 886 - Directory Listing - [select for diffs]
Modified Fri Dec 19 15:12:38 2003 UTC (21 years, 10 months ago) by mmeineke
Diff to previous 877 
working on adding GofRtheta and GofRomega

additional work on randomBilayer
Revision 877 - Directory Listing - [select for diffs]
Modified Fri Dec 12 15:33:48 2003 UTC (21 years, 10 months ago) by mmeineke
Diff to previous 876 
 removed the randombilayer header
Revision 876 - Directory Listing - [select for diffs]
Modified Wed Dec 10 16:52:46 2003 UTC (21 years, 10 months ago) by mmeineke
Diff to previous 874 
edited the makefile to add randomBilayer to the build. Also move the random bilayer builder from
bilayerSys to randomBilayer
Revision 874 - Directory Listing - [select for diffs]
Modified Fri Nov 21 20:10:02 2003 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 855 
added a more verbose error message in SimInfo. Added a more informative error message in InitializeFromFile
Revision 855 - Directory Listing - [select for diffs]
Modified Thu Nov 6 22:01:37 2003 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 851 
added the following parameters to BASS:
   * useInitialExtendedSystemState
   * orthoBoxTolerance
   * useIntiTime => useInitialTime
Revision 851 - Directory Listing - [select for diffs]
Modified Wed Nov 5 19:18:17 2003 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 835 
some work on trying to find the compression bug
Revision 835 - Directory Listing - [select for diffs]
Modified Tue Oct 28 20:42:24 2003 UTC (22 years ago) by gezelter
Diff to previous 825 
Portability fixes
Revision 825 - Directory Listing - [select for diffs]
Modified Mon Oct 27 22:08:36 2003 UTC (22 years ago) by mmeineke
Diff to previous 822 
added routines for the sysbuilder to work with simSetup

remved the QuickBass routines, and had all parsing go through SimSetup.
LatticeBilayer is in complete working order now.
Revision 822 - Directory Listing - [select for diffs]
Modified Mon Oct 27 16:20:59 2003 UTC (22 years ago) by gezelter
Diff to previous 821 
fixes for configure, sysBuild
Revision 821 - Directory Listing - [select for diffs]
Modified Fri Oct 24 22:17:45 2003 UTC (22 years ago) by mmeineke
Diff to previous 817 
put QuickBass, MoLocator, and latticeBuilder into a Builder Library
overhauled latticeBilayer into its own program. Removed sysBuild from the Makefile
Revision 817 - Directory Listing - [select for diffs]
Modified Fri Oct 24 17:36:18 2003 UTC (22 years ago) by gezelter
Diff to previous 785 
work on bilayer builder
Revision 785 - Directory Listing - [select for diffs]
Modified Thu Sep 25 16:42:34 2003 UTC (22 years, 1 month ago) by gezelter
Diff to previous 783 
fixes for configure
Revision 783 - Directory Listing - [select for diffs]
Modified Tue Sep 23 20:36:57 2003 UTC (22 years, 1 month ago) by gezelter
Diff to previous 774 
Added a bunch of Make.dep files to CVS
Revision 774 - Directory Listing - [select for diffs]
Modified Fri Sep 19 16:03:44 2003 UTC (22 years, 1 month ago) by mmeineke
Diff to previous 771 
removed mpi++ from the makefile
Revision 771 - Directory Listing - [select for diffs]
Modified Fri Sep 19 15:20:33 2003 UTC (22 years, 1 month ago) by mmeineke
Diff to previous 763 
fixed a typo in the makefile.
Revision 763 - Directory Listing - [select for diffs]
Modified Mon Sep 15 16:52:02 2003 UTC (22 years, 1 month ago) by tim
Diff to previous 747 
add conserved quantity to statWriter
fix bug of vector wrapping at NPTi
Revision 747 - Directory Listing - [select for diffs]
Modified Fri Sep 5 21:28:52 2003 UTC (22 years, 1 month ago) by gezelter
Diff to previous 724 
Changes to autoconf / configure method of configuring OOPSE
Revision 724 - Directory Listing - [select for diffs]
Modified Tue Aug 26 20:13:17 2003 UTC (22 years, 2 months ago) by mmeineke
Diff to previous 719 
added define statemewnt to Statwriter and Dumpwriter to handle files larger than 2 gb.

commented out some print statements in Zconstraint

hard coding some system init into bilayer.sys
Revision 719 - Directory Listing - [select for diffs]
Modified Mon Aug 25 22:17:41 2003 UTC (22 years, 2 months ago) by gezelter
Diff to previous 707 
More FreeBSD fixes
Revision 707 - Directory Listing - [select for diffs]
Modified Wed Aug 20 19:42:31 2003 UTC (22 years, 2 months ago) by mmeineke
Diff to previous 703 
updated the Changelog.

added some bug fixes for setting the random number generator seed value.

fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
Revision 703 - Directory Listing - [select for diffs]
Modified Wed Aug 20 15:13:50 2003 UTC (22 years, 2 months ago) by mmeineke
Diff to previous 700 
quick makefile fix, in make links. added -f to ln -s.
Revision 700 - Directory Listing - [select for diffs]
Modified Mon Aug 18 20:59:47 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 686 
Fixed sysBuild -bilayer works. Nanobuilder still broke.
Revision 686 - Directory Listing - [select for diffs]
Modified Tue Aug 12 18:14:46 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 685 
Added comment line for getgetopt.
Revision 685 - Directory Listing - [select for diffs]
Modified Tue Aug 12 18:04:47 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 684 
Missed del of files before.
Revision 684 - Directory Listing - [select for diffs]
Modified Tue Aug 12 18:03:14 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 683 
*** empty log message ***
Revision 683 - Directory Listing - [select for diffs]
Modified Tue Aug 12 18:01:05 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 680 
commit makefile
Revision 680 - Directory Listing - [select for diffs]
Modified Mon Aug 11 22:31:39 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 678 
Changed makefile to only build quicklate.
Revision 678 - Directory Listing - [select for diffs]
Modified Mon Aug 11 22:12:31 2003 UTC (22 years, 2 months ago) by chuckv
Diff to previous 624 
Arranged sysbuilder into a subdirectory. Fixed some of sysbuilder to work with new
atom allocation in libmdtools.
Revision 624 - Directory Listing - [select for diffs]
Modified Wed Jul 16 17:35:18 2003 UTC (22 years, 3 months ago) by gezelter
Diff to previous 613 
Made quickLate aware of Hmat.  quickLate is now somewhat more
intelligent about periodic boundaries and wrapping.
Revision 613 - Directory Listing - [select for diffs]
Modified Tue Jul 15 17:25:30 2003 UTC (22 years, 3 months ago) by chuckv
Diff to previous 603 
added more command line arguments
Revision 603 - Directory Listing - [select for diffs]
Modified Mon Jul 14 23:06:48 2003 UTC (22 years, 3 months ago) by gezelter
Diff to previous 598 
Broken SysBuilder
Revision 598 - Directory Listing - [select for diffs]
Modified Mon Jul 14 21:35:45 2003 UTC (22 years, 3 months ago) by chuckv
Diff to previous 592 
added a nanoSysBuilder that takes different cmd line arguments.
Revision 592 - Directory Listing - [select for diffs]
Modified Fri Jul 11 14:49:17 2003 UTC (22 years, 3 months ago) by gezelter
Diff to previous 589 
Fixed Hmat and some namespace strangeness
Revision 589 - Directory Listing - [select for diffs]
Modified Thu Jul 10 19:53:50 2003 UTC (22 years, 3 months ago) by chuckv
Diff to previous 573 
Added nanoBuilder and a general Lattice builder.
Revision 573 - Directory Listing - [select for diffs]
Modified Thu Jul 3 19:41:26 2003 UTC (22 years, 3 months ago) by mmeineke
Diff to previous 572 
 cleaned up the dependecy scripts in the makefiles
Revision 572 - Directory Listing - [select for diffs]
Modified Wed Jul 2 21:26:55 2003 UTC (22 years, 3 months ago) by mmeineke
Diff to previous 561 
fixed the bugs introduced by switching the periodic box to a matrix
Revision 561 - Directory Listing - [select for diffs]
Modified Fri Jun 20 20:29:36 2003 UTC (22 years, 4 months ago) by mmeineke
Diff to previous 543 
Most of the integrator and NVT seem to be working now.
Revision 543 - Directory Listing - [select for diffs]
Modified Fri May 30 21:32:33 2003 UTC (22 years, 5 months ago) by mmeineke
Diff to previous 538 
currently modifiying Symplectic to become the basic integrator.

bilayerSys.cpp altered for building tb3.
Revision 538 - Directory Listing - [select for diffs]
Modified Sat May 17 16:57:08 2003 UTC (22 years, 5 months ago) by mmeineke
Diff to previous 537 
all seems to be working
Revision 537 - Directory Listing - [select for diffs]
Modified Fri May 16 21:37:56 2003 UTC (22 years, 5 months ago) by mmeineke
Diff to previous 536 
still working on the bilayer code
Revision 536 - Directory Listing - [select for diffs]
Modified Fri May 16 14:28:27 2003 UTC (22 years, 5 months ago) by mmeineke
Diff to previous 506 
doing some work to overhaul sysbuild.
Revision 506 - Directory Listing - [select for diffs]
Modified Fri Apr 25 16:02:26 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 504 
i quick fix to th distance in the random bilayer builder
Revision 504 - Directory Listing - [select for diffs]
Modified Thu Apr 17 21:54:18 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 503 
fixed up sysBuild to where it should now build our systems
Revision 503 - Directory Listing - [select for diffs]
Modified Wed Apr 16 21:11:37 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 502 
almost finished.
Revision 502 - Directory Listing - [select for diffs]
Modified Tue Apr 15 21:47:54 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 501 
bilayerSys and sysBuild both will build now. woot!
Revision 501 - Directory Listing - [select for diffs]
Modified Tue Apr 15 21:20:35 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 498 
finished bilayerSys.cpp

sysBuild still need to write the bass file.

MoLocator.cpp is currently empty
Revision 498 - Directory Listing - [select for diffs]
Modified Mon Apr 14 21:22:54 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 495 
working on the system builder
Revision 495 - Directory Listing - [select for diffs]
Modified Mon Apr 14 19:52:00 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 494 
 working on a system builder
Revision 494 - Directory Listing - [select for diffs]
Modified Mon Apr 14 19:04:02 2003 UTC (22 years, 6 months ago) by mmeineke
Diff to previous 444 
added Ghost bends to the TraPPE_Ex forceField

added sysBuild to the utils Makefile
Revision 444 - Directory Listing - [select for diffs]
Added Thu Apr 3 13:43:02 2003 UTC (22 years, 6 months ago) by gezelter 
Changed Readme, added some files

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