[ViewVC] Log of: group/trunk/OOPSE-3.0/src/applications/dump2Xyz/Dump2XYZ.cpp

Revision 2224 - (view) (annotate) - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 7913 byte(s)
Diff to previous 2204

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

Revision 2163 - (view) (annotate) - [select for diffs]
Modified Mon Apr 11 20:54:53 2005 UTC (19 years, 3 months ago) by tim
File length: 7905 byte(s)
Diff to previous 2097

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;

Revision 2065 - (view) (annotate) - [select for diffs]
Modified Tue Mar 1 14:45:45 2005 UTC (19 years, 4 months ago) by tim
File length: 9324 byte(s)
Diff to previous 2053

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

Revision 2008 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (19 years, 4 months ago) by tim
File length: 8894 byte(s)
Diff to previous 1978

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

Revision 1975 - (view) (annotate) - [select for diffs]
Modified Fri Feb 4 22:43:54 2005 UTC (19 years, 5 months ago) by tim
File length: 8893 byte(s)
Diff to previous 1957

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

Revision 1934 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 23:21:42 2005 UTC (19 years, 5 months ago) by tim
File length: 8099 byte(s)
Diff to previous 1930

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

Revision 1718 - (view) (annotate) - [select for diffs]
Modified Fri Nov 5 21:45:14 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 5919 byte(s)
Diff to previous 1501

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

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