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root/OpenMD/trunk/src/applications/atom2md
Revision 1290 - Directory Listing - [selected]
Modified Wed Sep 10 19:51:45 2008 UTC (17 years, 6 months ago) by cli2
Diff to previous 1277 
Inversion fixes and amber mostly working
Revision 1277 - Directory Listing - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years, 8 months ago) by gezelter
Diff to previous 1274 , to selected 1290 
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, 8 months ago) by gezelter
Diff to previous 1269 , to selected 1290 
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, 8 months ago) by gezelter
Diff to previous 1210 , to selected 1290 
Adding infrastructure for Amber force field.
Revision 1210 - Directory Listing - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (18 years, 2 months ago) by gezelter
Diff to previous 1021 , to selected 1290 
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, 7 months ago) by gezelter
Diff to previous 1020 , to selected 1290 
starting change of file formats
Revision 1020 - Directory Listing - [select for diffs]
Added Wed Aug 2 18:06:18 2006 UTC (19 years, 7 months ago) by gezelter
Diff to selected 1290 
Changing atom2mdin into atom2md to reflect new unified file format

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