[ViewVC] Log of: OpenMD/branches/development/src/UseTheForce/DUFF.cpp

Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File length: 4760 byte(s)
Diff to previous 1532

updated copyright notices

Revision 1532 - (view) (annotate) - [select for diffs]
Modified Wed Dec 29 19:59:21 2010 UTC (14 years, 4 months ago) by gezelter
File length: 4694 byte(s)
Diff to previous 1505

Added MAW to the C++ side, removed a whole bunch more fortran.

Revision 1505 - (view) (annotate) - [select for diffs]
Modified Sun Oct 3 22:18:59 2010 UTC (14 years, 6 months ago) by gezelter
File length: 4727 byte(s)
Diff to previous 1485

Less busted than it was on last check-in, but still won't completely
build.

Revision 1485 - (view) (annotate) - [select for diffs]
Modified Wed Jul 28 19:52:00 2010 UTC (14 years, 9 months ago) by gezelter
File length: 4876 byte(s)
Diff to previous 1483

Converting Sticky over to C++

Revision 1483 - (view) (annotate) - [select for diffs]
Modified Tue Jul 27 21:17:31 2010 UTC (14 years, 9 months ago) by gezelter
File length: 4974 byte(s)
Diff to previous 1467

Added GB module to the C++ side, got rid of it on the fortran side.

Revision 1467 - (view) (annotate) - [select for diffs]
Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 9 months ago) by gezelter
File length: 5323 byte(s)
Diff to previous 1465

well, it compiles, but still segfaults

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 5392 byte(s)
Diff to previous 1442

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5392 byte(s)
Diff to previous 1390

Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 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)

Revision 1282 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 18:11:19 2008 UTC (16 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5349 byte(s)
Diff to previous 1280

Many fixes

Revision 1280 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 02:07:09 2008 UTC (16 years, 9 months 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!

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 6018 byte(s)
Diff to previous 1269

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 (16 years, 10 months 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.

Revision 981 - (view) (annotate) - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 10 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5827 byte(s)
Diff to previous 802

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, 4 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.

Revision 801 - (view) (annotate) - [select for diffs]
Modified Wed Dec 7 23:10:53 2005 UTC (19 years, 4 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5320 byte(s)
Diff to previous 749

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, 5 months ago) by tim
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5302 byte(s)
Diff to previous 676

OptionSectionParser get compiled

Revision 676 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 19:12:45 2005 UTC (19 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5193 byte(s)
Diff to previous 668

changing GB architecture

Revision 668 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (19 years, 6 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

Revision 532 - (view) (annotate) - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 5096 byte(s)
Diff to previous 523

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 (19 years, 11 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...

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4841 byte(s)
Diff to previous 492

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 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.

Revision 425 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 20:28:17 2005 UTC (20 years, 1 month ago) by tim
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4768 byte(s)
Diff to previous 413

using map to replace link list

Revision 413 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 1 month 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;

Revision 409 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 14:25:51 2005 UTC (20 years, 1 month ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 4649 byte(s)
Diff to previous 246

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, 3 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

Revision 202 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:20:28 2004 UTC (20 years, 5 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44344 byte(s)
Diff to previous 177

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, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44243 byte(s)
Diff to previous 160

fixed duplicate declaration foo

Revision 160 - (view) (annotate) - [select for diffs]
Modified Wed Oct 27 00:01:29 2004 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44274 byte(s)
Diff to previous 157

char* -> string

Revision 157 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:24:52 2004 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44485 byte(s)
Diff to previous 143

forcefield refactoring for shapes

Revision 143 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (20 years, 6 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44816 byte(s)
Diff to previous 141

fixey fixey the breakey breakey

Revision 141 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 44806 byte(s)
Diff to previous 135

fixey fixey

Revision 135 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 20:15:31 2004 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 43823 byte(s)
Diff to previous 128

Breaky Breaky.   Fixey Fixey.

Revision 128 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 21:52:20 2004 UTC (20 years, 6 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

Revision 124 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 20:46:20 2004 UTC (20 years, 6 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 43861 byte(s)
Diff to previous 3

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, 7 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

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DUFF.cpp
File length: 43754 byte(s)

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