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root/OpenMD/trunk/src/brains/Register.cpp
Revision 1297 - (view) (annotate) - [select for diffs]
Modified Fri Sep 26 18:54:04 2008 UTC (16 years, 7 months ago) by skuang
File length: 6390 byte(s)
Diff to previous 1292 
Only build SMIPDynamics and register it if we have qhull
Revision 1292 - (view) (annotate) - [select for diffs]
Modified Fri Sep 12 20:51:22 2008 UTC (16 years, 7 months ago) by chuckv
File length: 6328 byte(s)
Diff to previous 1269 
fixed thermo bug
Revision 1269 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (16 years, 10 months ago) by gezelter
File length: 6190 byte(s)
Diff to previous 1210 
Adding infrastructure for Amber force field.
Revision 1210 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
File length: 6046 byte(s)
Diff to previous 1153 
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 1153 - (view) (annotate) - [select for diffs]
Modified Mon Jul 9 21:03:53 2007 UTC (17 years, 9 months ago) by chuckv
File length: 6905 byte(s)
Diff to previous 1084 
Changes for MnM forcefield.
Revision 1084 - (view) (annotate) - [select for diffs]
Modified Fri Oct 20 15:40:46 2006 UTC (18 years, 6 months ago) by gezelter
File length: 6636 byte(s)
Diff to previous 1032 
fixes for open babel
Revision 1032 - (view) (annotate) - [select for diffs]
Modified Fri Sep 1 19:16:02 2006 UTC (18 years, 8 months ago) by gezelter
File length: 6632 byte(s)
Diff to previous 1024 
adding NgammaT integrator
Revision 1024 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
File length: 6399 byte(s)
Diff to previous 945 
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
Revision 945 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years ago) by gezelter
File length: 6381 byte(s)
Diff to previous 895 
Adding spherical boundary conditions to LD integrator
Revision 895 - (view) (annotate) - [select for diffs]
Modified Mon Mar 13 22:42:40 2006 UTC (19 years, 1 month ago) by tim
File length: 6181 byte(s)
Diff to previous 788 
LangevinDynamics in progress
Revision 788 - (view) (annotate) - [select for diffs]
Modified Mon Dec 5 22:23:57 2005 UTC (19 years, 4 months ago) by gezelter
File length: 6013 byte(s)
Diff to previous 744 
Adding handler for CLAY force field
Revision 744 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 21:20:11 2005 UTC (19 years, 5 months ago) by tim
File length: 5882 byte(s)
Diff to previous 728 
register openbabel readers/writers
Revision 728 - (view) (annotate) - [select for diffs]
Modified Mon Nov 14 21:29:36 2005 UTC (19 years, 5 months ago) by chuckv
File length: 5045 byte(s)
Diff to previous 705 
Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.
Revision 705 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:14:27 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 4832 byte(s)
Diff to previous 536 
fixed a capitalization problem with NPT integrator initialization
Revision 536 - (view) (annotate) - [select for diffs]
Modified Thu May 19 04:28:26 2005 UTC (19 years, 11 months ago) by tim
File length: 4832 byte(s)
Diff to previous 514 
adding NPAT and NPrT integrators
Revision 514 - (view) (annotate) - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (20 years ago) by chrisfen
File length: 4576 byte(s)
Diff to previous 507 
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 4383 byte(s)
Diff to previous 487 
xemacs has been drafted to perform our indentation services
Revision 487 - (view) (annotate) - [select for diffs]
Modified Tue Apr 12 22:33:50 2005 UTC (20 years ago) by tim
File length: 4364 byte(s)
Diff to previous 484 
refactory lattice
Revision 484 - (view) (annotate) - [select for diffs]
Modified Tue Apr 12 21:58:09 2005 UTC (20 years ago) by tim
File length: 4456 byte(s)
Diff to previous 368 
refactory LatticeFactory and LatticeCreator
Revision 368 - (view) (annotate) - [select for diffs]
Modified Fri Feb 18 15:58:55 2005 UTC (20 years, 2 months ago) by gezelter
File length: 4136 byte(s)
Diff to previous 246 
Corrected filename collision for EAM on Mac OS X
Revision 246 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 4130 byte(s) 
merging new_design branch into OOPSE-2.0

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