[ViewVC] Log of: group/trunk/OOPSE-4/src/brains/SimInfo.cpp

Revision 2307 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 21:07:45 2005 UTC (18 years, 9 months ago) by chrisfen
File length: 34538 byte(s)
Diff to previous 2305

xlf found a bug that ifc missed...

Revision 2305 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 19:35:14 2005 UTC (18 years, 9 months ago) by chrisfen
File length: 34559 byte(s)
Diff to previous 2303

fixed a capitalization error

Revision 2303 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 19:00:12 2005 UTC (18 years, 9 months ago) by chrisfen
File length: 34559 byte(s)
Diff to previous 2302

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

Revision 2302 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 16:07:39 2005 UTC (18 years, 9 months ago) by chrisfen
File length: 34538 byte(s)
Diff to previous 2297

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

Revision 2297 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:14:35 2005 UTC (18 years, 9 months ago) by chrisfen
File length: 34847 byte(s)
Diff to previous 2285

changes to include the coulombicCorrection selector

Revision 2285 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (18 years, 9 months ago) by gezelter
File length: 33570 byte(s)
Diff to previous 2279

adding c-side interface to change cutoff Policy

Revision 2279 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (18 years, 10 months ago) by chrisfen
File length: 32732 byte(s)
Diff to previous 2256

made some changes for implementing the wolf potential

Revision 2256 - (view) (annotate) - [select for diffs]
Modified Tue May 31 22:31:54 2005 UTC (19 years ago) by chuckv
File length: 32337 byte(s)
Diff to previous 2252

Changes to remove angular momentum.

Revision 2252 - (view) (annotate) - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (19 years, 1 month ago) by chuckv
File length: 32276 byte(s)
Diff to previous 2220

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

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: 28450 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: 28191 byte(s)
Diff to previous 2187

xemacs has been drafted to perform our indentation services

Revision 2187 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 18:41:17 2005 UTC (19 years, 2 months ago) by tim
File length: 29338 byte(s)
Diff to previous 2119

more memory leak are fixed

Revision 2119 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 15:55:17 2005 UTC (19 years, 3 months ago) by tim
File length: 29333 byte(s)
Diff to previous 2116

pairs inside cutoff group should not be excluded

Revision 2116 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 15:00:20 2005 UTC (19 years, 3 months ago) by tim
File length: 30310 byte(s)
Diff to previous 2114

clean up SimInfo; modify the images of SelectionExpression.html

Revision 2114 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 23:56:42 2005 UTC (19 years, 3 months ago) by tim
File length: 30509 byte(s)
Diff to previous 2097

adding exclude pairs for rigidbody and cutoff group

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: 28564 byte(s)
Diff to previous 2082

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

Revision 2082 - (view) (annotate) - [select for diffs]
Modified Mon Mar 7 22:39:33 2005 UTC (19 years, 3 months ago) by tim
File length: 28679 byte(s)
Diff to previous 2018

Fixing a bug in BitSet.cpp

Revision 2018 - (view) (annotate) - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (19 years, 4 months ago) by tim
File length: 28575 byte(s)
Diff to previous 2015

begin bug fix

Revision 2015 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 21:18:27 2005 UTC (19 years, 4 months ago) by tim
File length: 28567 byte(s)
Diff to previous 2012

fix a bug in calculating  bytes per stuntdouble

Revision 2012 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:36:24 2005 UTC (19 years, 4 months ago) by tim
File length: 28496 byte(s)
Diff to previous 2010

fixed a bug in SimInfo::getCutoff()

Revision 2010 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (19 years, 4 months ago) by tim
File length: 28506 byte(s)
Diff to previous 2000

maximum length defaults to the cutoff radius

Revision 2000 - (view) (annotate) - [select for diffs]
Modified Fri Feb 11 22:41:02 2005 UTC (19 years, 4 months ago) by tim
File length: 28498 byte(s)
Diff to previous 1976

adding one more constructor to Snapshot to create customized DataStorage

Revision 1976 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:44:15 2005 UTC (19 years, 4 months ago) by tim
File length: 28487 byte(s)
Diff to previous 1958

adding SelectionManager into SimInfo

Revision 1958 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 21:59:18 2005 UTC (19 years, 5 months ago) by tim
File length: 28346 byte(s)
Diff to previous 1930

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

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: 28347 byte(s)
Diff to previous 1636

merging new_design branch into OOPSE-2.0

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: 14181 byte(s)
Diff to previous 1617

fixey fixey the breakey breakey

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: 13839 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: 13763 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: 13719 byte(s)

Import of OOPSE v. 2.0

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