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root/OpenMD/trunk/src/applications/atom2md
Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 6 months ago) by gezelter
Diff to previous 1399 , to selected 1397 
Adding property set to svn entries
Revision 1399 - Directory Listing - [select for diffs]
Modified Thu Dec 24 05:45:30 2009 UTC (15 years, 11 months ago) by gezelter
Diff to previous 1398 , to selected 1397 
fixing atom2md and bringing it up to speed with OpenBabel 2.2.3
Revision 1398 - Directory Listing - [select for diffs]
Modified Tue Dec 8 22:17:02 2009 UTC (15 years, 11 months ago) by gezelter
Diff to previous 1397 
Parallel bugfix in RestraintForceManager
Reverted back to hydrodynamics on triangular plates for SMIPDForceManager
Removed thermalLength and thermalConductivity keywords from Globals.
Bug tracking in openmdformat (not yet resolved).
Revision 1397 - Directory Listing - [selected]
Modified Mon Dec 7 22:11:59 2009 UTC (15 years, 11 months ago) by gezelter
Diff to previous 1396 
more changes to fix build process and divorce ourselves from CVS
Revision 1396 - Directory Listing - [select for diffs]
Modified Sat Dec 5 02:57:05 2009 UTC (15 years, 11 months ago) by gezelter
Diff to previous 1390 , to selected 1397 
Merging changes skipped in working copies of OOPSE into the OpenMD
tree, fixing make install
Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years ago) by gezelter
Diff to previous 1290 , to selected 1397 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1290 - Directory Listing - [select for diffs]
Modified Wed Sep 10 19:51:45 2008 UTC (17 years, 2 months ago) by cli2
Diff to previous 1277 , to selected 1397 
Inversion fixes and amber mostly working
Revision 1277 - Directory Listing - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years, 4 months ago) by gezelter
Diff to previous 1274 , to selected 1397 
Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
Revision 1274 - Directory Listing - [select for diffs]
Modified Thu Jul 3 12:45:30 2008 UTC (17 years, 4 months ago) by gezelter
Diff to previous 1269 , to selected 1397 
Cleaning up oopseformat and adding inversion terms
Revision 1269 - Directory Listing - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (17 years, 4 months ago) by gezelter
Diff to previous 1210 , to selected 1397 
Adding infrastructure for Amber force field.
Revision 1210 - Directory Listing - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 10 months ago) by gezelter
Diff to previous 1021 , to selected 1397 
Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
Revision 1021 - Directory Listing - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (19 years, 3 months ago) by gezelter
Diff to previous 1020 , to selected 1397 
starting change of file formats
Revision 1020 - Directory Listing - [select for diffs]
Added Wed Aug 2 18:06:18 2006 UTC (19 years, 3 months ago) by gezelter
Diff to selected 1397 
Changing atom2mdin into atom2md to reflect new unified file format

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