[ViewVC] Log of: group/trunk/OOPSE-2.0/src/UseTheForce/DUFF.cpp

Revision 2367 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (18 years, 8 months ago) by kdaily
File length: 5227 byte(s)
Diff to previous 2229

Add parts for the GayBerne LJ

Revision 2229 - (view) (annotate) - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 5096 byte(s)
Diff to previous 2220

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

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: 4987 byte(s)
Diff to previous 2204

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

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 2 months ago) by gezelter
File length: 4841 byte(s)
Diff to previous 2189

xemacs has been drafted to perform our indentation services

Revision 2189 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 20:36:45 2005 UTC (19 years, 2 months ago) by chuckv
File length: 4827 byte(s)
Diff to previous 2109

Added destroy methods for Fortran modules.

Revision 2109 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 20:28:17 2005 UTC (19 years, 3 months ago) by tim
File length: 4768 byte(s)
Diff to previous 2097

using map to replace link list

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: 4746 byte(s)
Diff to previous 2093

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

Revision 2093 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 14:25:51 2005 UTC (19 years, 3 months ago) by gezelter
File length: 4649 byte(s)
Diff to previous 1930

removed #include lines for outdated charge and dipole interfaces

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: 4751 byte(s)
Diff to previous 1706

merging new_design branch into OOPSE-2.0

Revision 1706 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:20:28 2004 UTC (19 years, 7 months ago) by gezelter
File length: 44344 byte(s)
Diff to previous 1670

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

Revision 1670 - (view) (annotate) - [select for diffs]
Modified Thu Oct 28 16:56:20 2004 UTC (19 years, 8 months ago) by gezelter
File length: 44243 byte(s)
Diff to previous 1653

fixed duplicate declaration foo

Revision 1653 - (view) (annotate) - [select for diffs]
Modified Wed Oct 27 00:01:29 2004 UTC (19 years, 8 months ago) by gezelter
File length: 44274 byte(s)
Diff to previous 1650

char* -> string

Revision 1650 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:24:52 2004 UTC (19 years, 8 months ago) by gezelter
File length: 44485 byte(s)
Diff to previous 1636

forcefield refactoring for shapes

Revision 1636 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 44816 byte(s)
Diff to previous 1634

fixey fixey the breakey breakey

Revision 1634 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (19 years, 8 months ago) by gezelter
File length: 44806 byte(s)
Diff to previous 1628

fixey fixey

Revision 1628 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 20:15:31 2004 UTC (19 years, 8 months ago) by gezelter
File length: 43823 byte(s)
Diff to previous 1621

Breaky Breaky.   Fixey Fixey.

Revision 1621 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 21:52:20 2004 UTC (19 years, 8 months ago) by gezelter
File length: 43849 byte(s)
Diff to previous 1617

fixed a fortran name problem

Revision 1617 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 20:46:20 2004 UTC (19 years, 8 months ago) by chuckv
File length: 43861 byte(s)
Diff to previous 1492

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

Revision 1492 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 9 months ago) by tim
File length: 43807 byte(s)
Diff to previous 1490

change the #include in source files

Revision 1490 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter
File length: 43754 byte(s)

Import of OOPSE v. 2.0

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