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root/group/trunk/OOPSE/libmdtools/ConjugateMinimizer.cpp
Revision 1064 - (view) (annotate) - [select for diffs]
Modified Tue Feb 24 15:44:45 2004 UTC (21 years, 2 months ago) by tim
File length: 3985 byte(s)
Diff to previous 1057 
Using inherit instead of compose to implement Minimizer
both versions are working
Revision 1057 - (view) (annotate) - [select for diffs]
Modified Tue Feb 17 19:23:44 2004 UTC (21 years, 2 months ago) by tim
File length: 3780 byte(s)
Diff to previous 1046 
adding function shakeF in order to remove the constraint force along bond direction
Revision 1046 - (view) (annotate) - [select for diffs]
Modified Tue Feb 10 21:33:44 2004 UTC (21 years, 2 months ago) by tim
File length: 3776 byte(s)
Diff to previous 1035 
single version of energy minimization is working.
Revision 1035 - (view) (annotate) - [select for diffs]
Modified Fri Feb 6 21:37:59 2004 UTC (21 years, 2 months ago) by tim
File length: 3775 byte(s)
Diff to previous 1031 
Single version of energy minimization for argon is working, need to add constraint
Revision 1031 - (view) (annotate) - [select for diffs]
Modified Fri Feb 6 18:58:06 2004 UTC (21 years, 2 months ago) by tim
File length: 3749 byte(s)
Diff to previous 1023 
Add some lines into global.cpp to make it work with energy minimization
Revision 1023 - (view) (annotate) - [select for diffs]
Modified Wed Feb 4 22:26:00 2004 UTC (21 years, 2 months ago) by tim
File length: 3751 byte(s)
Diff to previous 1015 
Fix a bunch of bugs   :-)
Single version of conjugate gradient with golden search linesearch pass a couple of
functions test. Brent's  algorithm is still broken
Revision 1015 - (view) (annotate) - [select for diffs]
Modified Tue Feb 3 22:54:52 2004 UTC (21 years, 2 months ago) by tim
File length: 3255 byte(s)
Diff to previous 1011 
NLModel0, NLModel1 pass uit test
Revision 1011 - (view) (annotate) - [select for diffs]
Added Tue Feb 3 20:47:10 2004 UTC (21 years, 2 months ago) by tim
File length: 2955 byte(s) 
*** empty log message ***
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