Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 6 months ago) by chuckv
File length: 5392 byte(s)
Diff to previous 1442

Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 8 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5392 byte(s)
Diff to previous 1282

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Many fixes

Revision 1280 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 02:07:09 2008 UTC (17 years ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 6316 byte(s)
Diff to previous 1275

All your base are belong to us!

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 1269 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (17 years, 1 month ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5928 byte(s)
Diff to previous 981

Adding infrastructure for Amber force field.

Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).

Revision 802 - (view) (annotate) - [select for diffs]
Modified Thu Dec 8 15:38:49 2005 UTC (19 years, 8 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5557 byte(s)
Diff to previous 801

Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.

This should really break things.... Started adding support for ForceOptions to section parsers.

Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 8 months ago) by tim
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5302 byte(s)
Diff to previous 676

OptionSectionParser get compiled

changing GB architecture

Revision 668 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (19 years, 9 months ago) by kdaily
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5227 byte(s)
Diff to previous 532

Add parts for the GayBerne LJ

Modifications to tap.  Also correcting changes to the previous merge that were not caught

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4987 byte(s)
Diff to previous 507

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

xemacs has been drafted to perform our indentation services

Revision 492 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 20:36:45 2005 UTC (20 years, 3 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4827 byte(s)
Diff to previous 425

Added destroy methods for Fortran modules.

using map to replace link list

Revision 413 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 5 months ago) by tim
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4746 byte(s)
Diff to previous 409

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

removed #include lines for outdated charge and dipole interfaces

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4751 byte(s)
Diff to previous 202

merging new_design branch into OOPSE-2.0

fixed useXXX in the entry_plug so that it only is
set if the atoms really are in the simulation

Revision 177 - (view) (annotate) - [select for diffs]
Modified Thu Oct 28 16:56:20 2004 UTC (20 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44243 byte(s)
Diff to previous 160

fixed duplicate declaration foo

char* -> string

Revision 157 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:24:52 2004 UTC (20 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44485 byte(s)
Diff to previous 143

forcefield refactoring for shapes

fixey fixey the breakey breakey

Revision 141 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (20 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44806 byte(s)
Diff to previous 135

fixey fixey

Breaky Breaky.   Fixey Fixey.

Revision 128 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 21:52:20 2004 UTC (20 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 43849 byte(s)
Diff to previous 124

fixed a fortran name problem

Fortran/C++ interface de-obfuscation project (It is a very long story)

Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 10 months ago) by tim
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 43807 byte(s)
Diff to previous 2

change the #include in source files

Import of OOPSE v. 2.0