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root/group/trunk/OOPSE-4/src/integrators/Integrator.cpp
Revision 3541 - (view) (annotate) - [select for diffs]
Modified Mon Oct 19 13:39:04 2009 UTC (14 years, 10 months ago) by skuang
File length: 5054 byte(s)
Diff to previous 3503 
added RNEMD scaling
Revision 3503 - (view) (annotate) - [select for diffs]
Modified Mon May 11 13:14:12 2009 UTC (15 years, 4 months ago) by gezelter
File length: 5042 byte(s)
Diff to previous 3489 
only create RNEMD object if we need it.
Revision 3489 - (view) (annotate) - [select for diffs]
Modified Thu Mar 19 21:03:36 2009 UTC (15 years, 5 months ago) by skuang
File length: 5043 byte(s)
Diff to previous 3488 
Added handlers to Integrator to call RNEMD at the right times.  Added initialization
to RNEMD to make sure values from the MD file are available.
Revision 3488 - (view) (annotate) - [select for diffs]
Modified Sat Mar 14 01:23:53 2009 UTC (15 years, 6 months ago) by gezelter
File length: 4851 byte(s)
Diff to previous 2879 
Adding RNEMD
Revision 2879 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 2 months ago) by chrisfen
File length: 4646 byte(s)
Diff to previous 2364 
MPI thermodynamic integration works now.
Revision 2364 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (18 years, 11 months ago) by tim
File length: 4921 byte(s)
Diff to previous 2244 
rewrite Globals
Revision 2244 - (view) (annotate) - [select for diffs]
Modified Sun May 29 00:09:13 2005 UTC (19 years, 3 months ago) by tim
File length: 4919 byte(s)
Diff to previous 2243 
dding resetIntegrator
Revision 2243 - (view) (annotate) - [select for diffs]
Modified Sun May 29 00:06:14 2005 UTC (19 years, 3 months ago) by tim
File length: 4918 byte(s)
Diff to previous 2204 
adding resetIntegrator
Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 5 months ago) by gezelter
File length: 4778 byte(s)
Diff to previous 2125 
xemacs has been drafted to perform our indentation services
Revision 2125 - (view) (annotate) - [select for diffs]
Modified Tue Mar 15 14:21:31 2005 UTC (19 years, 6 months ago) by gezelter
File length: 4876 byte(s)
Diff to previous 2101 
VelocityVerletIntegrator already deletes and Nullifies restWriter,
so Integrator shouldn't do it.
Revision 2101 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 4899 byte(s)
Diff to previous 2010 
First commit of the new restraints code
Revision 2010 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (19 years, 7 months ago) by tim
File length: 4587 byte(s)
Diff to previous 2008 
maximum length defaults to the cutoff radius
Revision 2008 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (19 years, 7 months ago) by tim
File length: 4430 byte(s)
Diff to previous 1960 
dynamicProps get built
Revision 1960 - (view) (annotate) - [select for diffs]
Modified Wed Jan 26 15:26:47 2005 UTC (19 years, 7 months ago) by tim
File length: 4469 byte(s)
Diff to previous 1930 
forget to add eorWriter
Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (19 years, 8 months ago) by gezelter
File length: 4430 byte(s)
Diff to previous 1777 
merging new_design branch into OOPSE-2.0
Revision 1777 - (view) (annotate) - [select for diffs]
Modified Wed Nov 24 18:06:14 2004 UTC (19 years, 9 months ago) by chrisfen
File length: 19674 byte(s)
Diff to previous 1772 
improved restraints
Revision 1772 - (view) (annotate) - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (19 years, 9 months ago) by chrisfen
File length: 19614 byte(s)
Diff to previous 1730 
Improvements to restraints
Revision 1730 - (view) (annotate) - [select for diffs]
Modified Thu Nov 11 21:47:05 2004 UTC (19 years, 10 months ago) by chrisfen
File length: 18907 byte(s)
Diff to previous 1708 
Commented out some write statements
Revision 1708 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:20:55 2004 UTC (19 years, 10 months ago) by gezelter
File length: 18893 byte(s)
Diff to previous 1492 
Don't remember what I did
Revision 1492 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 11 months ago) by tim
File length: 18737 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, 11 months ago) by gezelter
File length: 18702 byte(s) 
Import of OOPSE v. 2.0

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