Revision 1329 - Directory Listing - [select for diffs]
Modified Thu Jul 15 19:43:43 2004 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 1327 , to selected 992

Expanded the water.mdl file

quick change in tp4.bass

Revision 1326 - Directory Listing - [select for diffs]
Modified Thu Jul 15 19:28:18 2004 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 1325 , to selected 992

Added TIP4P water sample

Added SPCE water sample

Revision 1324 - Directory Listing - [select for diffs]
Modified Wed Jul 14 20:58:56 2004 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 1165 , to selected 992

Good ssde simulation sample added

Added the cutoff Groups to the default water.mdl file

Revision 1163 - Directory Listing - [select for diffs]
Modified Wed May 12 14:30:12 2004 UTC (20 years, 1 month ago) by gezelter
Diff to previous 1098 , to selected 992

bug fixes for cutoffGroups

Slightly longer test run

Revision 1035 - Directory Listing - [select for diffs]
Modified Fri Feb 6 21:37:59 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 998 , to selected 992

Single version of energy minimization for argon is working, need to add constraint

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

Longer run time to test SSD water in MPI

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 938 , to selected 992

Changed orientation lines from unit vectors to euler angles

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 , to selected 992

fix a bug in copying string

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 851 , to selected 992

Fixed a bug of sending message from master node to itself in DumpWriter.cpp
and InitializeFromFile.cpp

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 , to selected 992

add chi and eta to the comment line of dump file.

fixes for configure, sysBuild

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 , to selected 992

goofing off to test NPTf and NPTi

*** empty log message ***

Revision 747 - Directory Listing - [select for diffs]
Modified Fri Sep 5 21:28:52 2003 UTC (20 years, 10 months ago) by gezelter
Diff to previous 612 , to selected 992

Changes to autoconf / configure method of configuring OOPSE

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 482 , to selected 992

Fixes for samples

It works (kinda)...

Revision 397 - Directory Listing - [select for diffs]
Added Tue Mar 25 01:06:10 2003 UTC (21 years, 3 months ago) by gezelter
Diff to selected 992

moved tests to samples