Revision 665 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
File length: 35785 byte(s)
Diff to previous 645 , to selected 2

rewrite Globals

fixed an annoying mass ratio bug that results in simulation failure with massless particles

Revision 629 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 15:58:17 2005 UTC (19 years, 7 months ago) by chuckv
File length: 35368 byte(s)
Diff to previous 611 , to selected 2

Added support for skinThickness keyword to Globals.

Fixed bugs in reaction field, now it appears as though it really is working...

Revision 610 - (view) (annotate) - [select for diffs]
Modified Sun Sep 18 20:45:38 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 34919 byte(s)
Diff to previous 608 , to selected 2

reaction field seems to work now, still need to do some testing...

xlf found a bug that ifc missed...

Revision 606 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 19:35:14 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 34559 byte(s)
Diff to previous 604 , to selected 2

fixed a capitalization error

it builds now, but there are known issues - particularly with reaction field...

Revision 603 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 16:07:39 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 34538 byte(s)
Diff to previous 598 , to selected 2

some fixes but even more breaking (cutting out the old way to do reaction field)

changes to include the coulombicCorrection selector

Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (19 years, 7 months ago) by gezelter
File length: 33570 byte(s)
Diff to previous 580 , to selected 2

adding c-side interface to change cutoff Policy

made some changes for implementing the wolf potential

Revision 557 - (view) (annotate) - [select for diffs]
Modified Tue May 31 22:31:54 2005 UTC (19 years, 11 months ago) by chuckv
File length: 32337 byte(s)
Diff to previous 555 , to selected 2

Changes to remove angular momentum.

Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years ago) by chrisfen
File length: 28450 byte(s)
Diff to previous 507 , to selected 2

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 490 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 18:41:17 2005 UTC (20 years ago) by tim
File length: 29338 byte(s)
Diff to previous 435 , to selected 2

more memory leak are fixed

pairs inside cutoff group should not be excluded

Revision 432 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 15:00:20 2005 UTC (20 years, 1 month ago) by tim
File length: 30310 byte(s)
Diff to previous 430 , to selected 2

clean up SimInfo; modify the images of SelectionExpression.html

adding exclude pairs for rigidbody and cutoff group

Revision 413 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 1 month ago) by tim
File length: 28564 byte(s)
Diff to previous 398 , to selected 2

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

Fixing a bug in BitSet.cpp

Revision 334 - (view) (annotate) - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 2 months ago) by tim
File length: 28575 byte(s)
Diff to previous 331 , to selected 2

begin bug fix

fix a bug in calculating  bytes per stuntdouble

Revision 328 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:36:24 2005 UTC (20 years, 2 months ago) by tim
File length: 28496 byte(s)
Diff to previous 326 , to selected 2

fixed a bug in SimInfo::getCutoff()

maximum length defaults to the cutoff radius

Revision 316 - (view) (annotate) - [select for diffs]
Modified Fri Feb 11 22:41:02 2005 UTC (20 years, 2 months ago) by tim
File length: 28498 byte(s)
Diff to previous 292 , to selected 2

adding one more constructor to Snapshot to create customized DataStorage

adding SelectionManager into SimInfo

Revision 274 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 21:59:18 2005 UTC (20 years, 3 months ago) by tim
File length: 28346 byte(s)
Diff to previous 246 , to selected 2

fix a bug in SimInfo, use number of cutoff stamp as counter to loop over rigidbody stamp

merging new_design branch into OOPSE-2.0

Revision 143 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (20 years, 6 months ago) by chrisfen
File length: 14181 byte(s)
Diff to previous 124 , to selected 2

fixey fixey the breakey breakey

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
File length: 13763 byte(s)
Diff to previous 2

change the #include in source files

Import of OOPSE v. 2.0