Revision 2611 - (view) (annotate) - [select for diffs]
Modified Mon Mar 13 22:42:40 2006 UTC (18 years, 3 months ago) by tim
File length: 6181 byte(s)
Diff to previous 2487

LangevinDynamics in progress

Adding handler for CLAY force field

Revision 2443 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 21:20:11 2005 UTC (18 years, 7 months ago) by tim
File length: 5882 byte(s)
Diff to previous 2427

register openbabel readers/writers

Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.

Revision 2404 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:14:27 2005 UTC (18 years, 7 months ago) by chrisfen
File length: 4832 byte(s)
Diff to previous 2233

fixed a capitalization problem with NPT integrator initialization

adding NPAT and NPrT integrators

Revision 2211 - (view) (annotate) - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 4576 byte(s)
Diff to previous 2204

Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...

xemacs has been drafted to perform our indentation services

Revision 2184 - (view) (annotate) - [select for diffs]
Modified Tue Apr 12 22:33:50 2005 UTC (19 years, 2 months ago) by tim
File length: 4364 byte(s)
Diff to previous 2181

refactory lattice

refactory LatticeFactory and LatticeCreator

Revision 2052 - (view) (annotate) - [select for diffs]
Modified Fri Feb 18 15:58:55 2005 UTC (19 years, 4 months ago) by gezelter
File length: 4136 byte(s)
Diff to previous 1930

Corrected filename collision for EAM on Mac OS X

merging new_design branch into OOPSE-2.0