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root/OpenMD/trunk/src/brains/SimInfo.cpp
Revision 645 - (view) (annotate) - [select for diffs]
Modified Tue Oct 4 19:34:03 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 35547 byte(s)
Diff to previous 629 
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 (20 years, 1 month ago) by chuckv
File length: 35368 byte(s)
Diff to previous 611 
Added support for skinThickness keyword to Globals.
Revision 611 - (view) (annotate) - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 35255 byte(s)
Diff to previous 610 
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 (20 years, 1 month ago) by chrisfen
File length: 34919 byte(s)
Diff to previous 608 
reaction field seems to work now, still need to do some testing...
Revision 608 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 21:07:45 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 34538 byte(s)
Diff to previous 606 
xlf found a bug that ifc missed...
Revision 606 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 19:35:14 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 34559 byte(s)
Diff to previous 604 
fixed a capitalization error
Revision 604 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 19:00:12 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 34559 byte(s)
Diff to previous 603 
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 (20 years, 1 month ago) by chrisfen
File length: 34538 byte(s)
Diff to previous 598 
some fixes but even more breaking (cutting out the old way to do reaction field)
Revision 598 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:14:35 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 34847 byte(s)
Diff to previous 586 
changes to include the coulombicCorrection selector
Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (20 years, 1 month ago) by gezelter
File length: 33570 byte(s)
Diff to previous 580 
adding c-side interface to change cutoff Policy
Revision 580 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (20 years, 2 months ago) by chrisfen
File length: 32732 byte(s)
Diff to previous 557 
made some changes for implementing the wolf potential
Revision 557 - (view) (annotate) - [select for diffs]
Modified Tue May 31 22:31:54 2005 UTC (20 years, 5 months ago) by chuckv
File length: 32337 byte(s)
Diff to previous 555 
Changes to remove angular momentum.
Revision 555 - (view) (annotate) - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (20 years, 5 months ago) by chuckv
File length: 32276 byte(s)
Diff to previous 523 
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, 6 months ago) by chrisfen
File length: 28450 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, 6 months ago) by gezelter
File length: 28191 byte(s)
Diff to previous 490 
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, 6 months ago) by tim
File length: 29338 byte(s)
Diff to previous 435 
more memory leak are fixed
Revision 435 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 15:55:17 2005 UTC (20 years, 7 months ago) by tim
File length: 29333 byte(s)
Diff to previous 432 
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, 7 months ago) by tim
File length: 30310 byte(s)
Diff to previous 430 
clean up SimInfo; modify the images of SelectionExpression.html
Revision 430 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 23:56:42 2005 UTC (20 years, 7 months ago) by tim
File length: 30509 byte(s)
Diff to previous 413 
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, 7 months ago) by tim
File length: 28564 byte(s)
Diff to previous 398 
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision 398 - (view) (annotate) - [select for diffs]
Modified Mon Mar 7 22:39:33 2005 UTC (20 years, 7 months ago) by tim
File length: 28679 byte(s)
Diff to previous 334 
Fixing a bug in BitSet.cpp
Revision 334 - (view) (annotate) - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 8 months ago) by tim
File length: 28575 byte(s)
Diff to previous 331 
begin bug fix
Revision 331 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 21:18:27 2005 UTC (20 years, 8 months ago) by tim
File length: 28567 byte(s)
Diff to previous 328 
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, 8 months ago) by tim
File length: 28496 byte(s)
Diff to previous 326 
fixed a bug in SimInfo::getCutoff()
Revision 326 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 8 months ago) by tim
File length: 28506 byte(s)
Diff to previous 316 
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, 8 months ago) by tim
File length: 28498 byte(s)
Diff to previous 292 
adding one more constructor to Snapshot to create customized DataStorage
Revision 292 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:44:15 2005 UTC (20 years, 8 months ago) by tim
File length: 28487 byte(s)
Diff to previous 274 
adding SelectionManager into SimInfo
Revision 274 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 21:59:18 2005 UTC (20 years, 9 months ago) by tim
File length: 28346 byte(s)
Diff to previous 246 
fix a bug in SimInfo, use number of cutoff stamp as counter to loop over rigidbody stamp
Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 9 months ago) by gezelter
File length: 28347 byte(s)
Diff to previous 143 
merging new_design branch into OOPSE-2.0
Revision 143 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (21 years ago) by chrisfen
File length: 14181 byte(s)
Diff to previous 124 
fixey fixey the breakey breakey
Revision 124 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 20:46:20 2004 UTC (21 years ago) by chuckv
File length: 13839 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 (21 years, 1 month ago) by tim
File length: 13763 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 (21 years, 1 month ago) by gezelter
File length: 13719 byte(s) 
Import of OOPSE v. 2.0

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