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Revision 1098 - Directory Listing - [select for diffs]
Modified Mon Apr 12 20:32:52 2004 UTC (20 years, 2 months ago) by gezelter
Diff to previous 1035 
Slightly longer test run
Revision 1035 - Directory Listing - [select for diffs]
Modified Fri Feb 6 21:37:59 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 998 
Single version of energy minimization for argon is working, need to add constraint
Revision 998 - Directory Listing - [select for diffs]
Modified Thu Jan 29 23:01:17 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 994 
member list fixes for rigid bodies
Revision 994 - Directory Listing - [select for diffs]
Modified Tue Jan 27 20:34:37 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 992 
Added point-charge models to water.mdl file, updated ssd.bass to use
new SSD name
Revision 992 - Directory Listing - [select for diffs]
Modified Tue Jan 27 19:39:23 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 991 
Longer run time to test SSD water in MPI
Revision 991 - Directory Listing - [select for diffs]
Modified Tue Jan 27 19:39:04 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 990 
Longer run time to test gold in MPI
Revision 990 - Directory Listing - [select for diffs]
Modified Tue Jan 27 19:38:46 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 985 
Longer run time to test argon
Revision 985 - Directory Listing - [select for diffs]
Modified Mon Jan 26 21:53:35 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 959 
Changed orientation lines from unit vectors to euler angles
Revision 959 - Directory Listing - [select for diffs]
Modified Mon Jan 19 16:10:09 2004 UTC (20 years, 5 months ago) by gezelter
Diff to previous 938 
Fixed old bass file
Revision 938 - Directory Listing - [select for diffs]
Modified Tue Jan 13 21:22:33 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 927 
Energy Minimization method
Revision 927 - Directory Listing - [select for diffs]
Modified Mon Jan 12 22:54:42 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 926 
fix a bug in copying string
Revision 926 - Directory Listing - [select for diffs]
Modified Mon Jan 12 20:37:59 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 905 
Dumpwriter only write out the atoms on master nodes
Revision 905 - Directory Listing - [select for diffs]
Modified Wed Jan 7 19:26:12 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 893 
Fixed a bug of sending message from master node to itself in DumpWriter.cpp
and InitializeFromFile.cpp
Revision 893 - Directory Listing - [select for diffs]
Modified Mon Dec 29 19:56:39 2003 UTC (20 years, 6 months ago) by chuckv
Diff to previous 882 
Added third-party directory for code not written by us. Also added Mersenne Twister random number generator code. This will eventually replace sprng as the random number generator used by OOPSE.
Revision 882 - Directory Listing - [select for diffs]
Modified Wed Dec 17 20:13:33 2003 UTC (20 years, 6 months ago) by chuckv
Diff to previous 851 
Fixed bug in parallel EAM. rho_row and rho_col were scattered into the same array. Unfortunately, MPI zeros the array between scatters so half of the sum was being lost. Fixed by added a temp array for column scatter, then sum loop over nlocal.
Revision 851 - Directory Listing - [select for diffs]
Modified Wed Nov 5 19:18:17 2003 UTC (20 years, 7 months ago) by mmeineke
Diff to previous 837 
some work on trying to find the compression bug
Revision 837 - Directory Listing - [select for diffs]
Modified Wed Oct 29 00:19:10 2003 UTC (20 years, 8 months ago) by tim
Diff to previous 822 
add chi and eta to the comment line of dump file.
Revision 822 - Directory Listing - [select for diffs]
Modified Mon Oct 27 16:20:59 2003 UTC (20 years, 8 months ago) by gezelter
Diff to previous 815 
fixes for configure, sysBuild
Revision 815 - Directory Listing - [select for diffs]
Modified Thu Oct 23 19:57:37 2003 UTC (20 years, 8 months ago) by mmeineke
Diff to previous 801 
added eam ForceField files to the init

fixed an eam mpi parmeter setup bug

added the init file to the makefile
Revision 801 - Directory Listing - [select for diffs]
Modified Sat Oct 4 18:46:12 2003 UTC (20 years, 8 months ago) by chuckv
Diff to previous 800 
Fixed bug in calc_eam.
Revision 800 - Directory Listing - [select for diffs]
Modified Sat Oct 4 18:08:33 2003 UTC (20 years, 8 months ago) by chuckv
Diff to previous 773 
added Au init file for eam.
Revision 773 - Directory Listing - [select for diffs]
Modified Fri Sep 19 16:01:20 2003 UTC (20 years, 9 months ago) by gezelter
Diff to previous 770 
goofing off to test NPTf and NPTi
Revision 770 - Directory Listing - [select for diffs]
Modified Fri Sep 19 14:55:41 2003 UTC (20 years, 9 months ago) by gezelter
Diff to previous 748 
*** empty log message ***
Revision 748 - Directory Listing - [select for diffs]
Modified Fri Sep 5 21:29:36 2003 UTC (20 years, 9 months ago) by gezelter
Diff to previous 747 
New Makefile for metals sample
Revision 747 - Directory Listing - [select for diffs]
Modified Fri Sep 5 21:28:52 2003 UTC (20 years, 9 months ago) by gezelter
Diff to previous 673 
Changes to autoconf / configure method of configuring OOPSE
Revision 673 - Directory Listing - [select for diffs]
Modified Fri Aug 8 21:22:37 2003 UTC (20 years, 10 months ago) by chuckv
Diff to previous 669 
EAM works...... Neighbor list also works.....
Revision 669 - Directory Listing - [select for diffs]
Modified Thu Aug 7 00:47:33 2003 UTC (20 years, 10 months ago) by chuckv
Diff to previous 657 
Bug fixes for eam...
Revision 657 - Directory Listing - [select for diffs]
Modified Wed Jul 30 21:17:01 2003 UTC (20 years, 11 months ago) by chuckv
Diff to previous 654 
More bug fixes for eam.
Revision 654 - Directory Listing - [select for diffs]
Modified Fri Jul 25 20:05:26 2003 UTC (20 years, 11 months ago) by chuckv
Diff to previous 612 
Added bass models for metals
Revision 612 - Directory Listing - [select for diffs]
Modified Tue Jul 15 17:11:11 2003 UTC (20 years, 11 months ago) by gezelter
Diff to previous 602 
Fixing force field line
Revision 602 - Directory Listing - [select for diffs]
Modified Mon Jul 14 23:06:35 2003 UTC (20 years, 11 months ago) by gezelter
Diff to previous 533 
Fixes for samples
Revision 533 - Directory Listing - [select for diffs]
Modified Tue May 13 20:47:10 2003 UTC (21 years, 1 month ago) by mmeineke
Diff to previous 530 
Added bead lipid model to the sample directory
Revision 530 - Directory Listing - [select for diffs]
Modified Fri May 9 19:51:30 2003 UTC (21 years, 1 month ago) by mmeineke
Diff to previous 485 
fixed up the TraPPE_Ex force field. there were some duplicate entries

added a two chain lipid to the lipid.mdl in sample
Revision 485 - Directory Listing - [select for diffs]
Modified Wed Apr 9 16:20:13 2003 UTC (21 years, 2 months ago) by chuckv
Diff to previous 482 
added pentane to the alkane model file
Revision 482 - Directory Listing - [select for diffs]
Modified Tue Apr 8 22:38:43 2003 UTC (21 years, 2 months ago) by chuckv
Diff to previous 441 
It works (kinda)...
Revision 441 - Directory Listing - [select for diffs]
Modified Tue Apr 1 16:50:14 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 438 
more bug fixes....
Revision 438 - Directory Listing - [select for diffs]
Modified Mon Mar 31 21:50:59 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 403 
Fixes in MPI force calc and in Trappe_Ex parsing.
Revision 403 - Directory Listing - [select for diffs]
Modified Wed Mar 26 15:37:05 2003 UTC (21 years, 3 months ago) by chuckv
Diff to previous 398 
Fixes for Parallel thermalization
Revision 398 - Directory Listing - [select for diffs]
Modified Tue Mar 25 01:08:02 2003 UTC (21 years, 3 months ago) by gezelter
Diff to previous 397 
moving tests to samples
Revision 397 - Directory Listing - [select for diffs]
Added Tue Mar 25 01:06:10 2003 UTC (21 years, 3 months ago) by gezelter 
moved tests to samples

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