Revision 2427 - (view) (annotate) - [select for diffs]
Modified Mon Nov 14 21:29:36 2005 UTC (18 years, 7 months ago) by chuckv
File length: 8944 byte(s)
Diff to previous 2406

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

Added suppport to atypes for MEAM and sutton-chen

Revision 2220 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 7708 byte(s)
Diff to previous 2214

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Got rid of write statements and am closer to a working shapes

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: 7707 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 2097 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (19 years, 3 months ago) by tim
File length: 8571 byte(s)
Diff to previous 2094

adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

added splitDipole and fixed quadrupole stuff

Revision 2089 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:07:27 2005 UTC (19 years, 3 months ago) by gezelter
File length: 8544 byte(s)
Diff to previous 2062

Electrostatic Unification Project

adding soft potential to LJ Module

Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File length: 8194 byte(s)
Diff to previous 1670

merging new_design branch into OOPSE-2.0

fixed duplicate declaration foo

Revision 1652 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:25:19 2004 UTC (19 years, 8 months ago) by gezelter
File length: 1473 byte(s)
Diff to previous 1638

Making ShapeType into a ShapeAtomType, fixing some isXXX

Dear god!  It runs and conserves energy!

Revision 1637 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:15 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 1567 byte(s)
Diff to previous 1632

strDUP not strCOPY

More on AtomType and DirectionalAtomType