Revision 981 - (view) (annotate) - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 10 months ago) by gezelter
File length: 5827 byte(s)
Diff to previous 802 , to selected 143

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).

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
File length: 5320 byte(s)
Diff to previous 749 , to selected 143

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

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
File length: 5193 byte(s)
Diff to previous 668 , to selected 143

changing GB architecture

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
File length: 5096 byte(s)
Diff to previous 523 , to selected 143

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

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
File length: 4841 byte(s)
Diff to previous 492 , to selected 143

xemacs has been drafted to perform our indentation services

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
File length: 4768 byte(s)
Diff to previous 413 , to selected 143

using map to replace link list

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
File length: 4649 byte(s)
Diff to previous 246 , to selected 143

removed #include lines for outdated charge and dipole interfaces

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
File length: 44344 byte(s)
Diff to previous 177 , to selected 143

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

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
File length: 44274 byte(s)
Diff to previous 157 , to selected 143

char* -> string

forcefield refactoring for shapes

Revision 143 - (view) (annotate) - [selected]
Modified Fri Oct 22 22:54:01 2004 UTC (20 years, 6 months ago) by chrisfen
File length: 44816 byte(s)
Diff to previous 141

fixey fixey the breakey breakey

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
File length: 43823 byte(s)
Diff to previous 128 , to selected 143

Breaky Breaky.   Fixey Fixey.

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
File length: 43861 byte(s)
Diff to previous 3 , to selected 143

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

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
File length: 43754 byte(s)
Diff to selected 143

Import of OOPSE v. 2.0