ViewVC Help
View Directory | Revision Log | View Changeset | Root Listing
root/group/trunk/OOPSE-4/src/applications/atom2md
Revision 3446 - Directory Listing - [select for diffs]
Modified Wed Sep 10 19:51:45 2008 UTC (16 years ago) by cli2
Diff to previous 3432 
Inversion fixes and amber mostly working
Revision 3432 - Directory Listing - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (16 years, 2 months ago) by gezelter
Diff to previous 3429 
Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
Revision 3429 - Directory Listing - [select for diffs]
Modified Thu Jul 3 12:45:30 2008 UTC (16 years, 2 months ago) by gezelter
Diff to previous 3424 
Cleaning up oopseformat and adding inversion terms
Revision 3424 - Directory Listing - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (16 years, 2 months ago) by gezelter
Diff to previous 3319 
Adding infrastructure for Amber force field.
Revision 3319 - Directory Listing - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (16 years, 7 months ago) by gezelter
Diff to previous 2970 
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 2970 - Directory Listing - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (18 years, 1 month ago) by gezelter
Diff to previous 2969 
starting change of file formats
Revision 2969 - Directory Listing - [select for diffs]
Added Wed Aug 2 18:06:18 2006 UTC (18 years, 1 month ago) by gezelter 
Changing atom2mdin into atom2md to reflect new unified file format

Convenience Links