Revision 2984 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 21:04:04 2006 UTC (17 years, 10 months ago) by gezelter
File length: 8984 byte(s)
Diff to previous 2764

Changing utility programs to use the new file format

wrapping back to PBC by molecule instead of by individual atom

Revision 2749 - (view) (annotate) - [select for diffs]
Modified Wed May 10 01:44:48 2006 UTC (18 years, 2 months ago) by tim
File length: 8331 byte(s)
Diff to previous 2581

adding a gay-berne switch to Dump2XYZ

Adding visitor for GBlipid atom type

Revision 2240 - (view) (annotate) - [select for diffs]
Modified Thu May 26 22:45:00 2005 UTC (19 years, 1 month ago) by tim
File length: 8118 byte(s)
Diff to previous 2224

adding AtomNameVisitor to convert atom name to its base name; wrappingvisitor
now wrap back to the center of the mass; adding P2OrderParameter into StaticProps

Couple of changes for TAP water.  Need to parametrize.

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: 7904 byte(s)
Diff to previous 2163

xemacs has been drafted to perform our indentation services

forget to delete prepareVisitor in Dump2XYZ

Revision 2097 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (19 years, 4 months ago) by tim
File length: 7882 byte(s)
Diff to previous 2065

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

adding MersenneTwister random number generator

Revision 2053 - (view) (annotate) - [select for diffs]
Modified Fri Feb 18 23:07:32 2005 UTC (19 years, 4 months ago) by tim
File length: 9324 byte(s)
Diff to previous 2008

adding LipidTransVisitor, GofXyz is working now

dynamicProps get built

Revision 1978 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:46:10 2005 UTC (19 years, 5 months ago) by tim
File length: 8852 byte(s)
Diff to previous 1975

remove SelectionVisitor

dump2Xyz now take advantage of selection library

Revision 1957 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (19 years, 5 months ago) by tim
File length: 8104 byte(s)
Diff to previous 1934

(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor

minor fix

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: 8095 byte(s)
Diff to previous 1718

merging new_design branch into OOPSE-2.0

Added the linear visitor

Revision 1501 - (view) (annotate) - [select for diffs]
Added Tue Sep 28 23:24:25 2004 UTC (19 years, 9 months ago) by tim
File length: 5784 byte(s)

change directory structure of application. Every executable file is replaced in seperate directory