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root/group/trunk/OOPSE/libmdtools/Integrator.cpp
Revision 572 - (view) (annotate) - [select for diffs]
Modified Wed Jul 2 21:26:55 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 14634 byte(s)
Diff to previous 567 , to selected 558 
fixed the bugs introduced by switching the periodic box to a matrix
Revision 567 - (view) (annotate) - [select for diffs]
Modified Wed Jun 25 21:12:14 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15366 byte(s)
Diff to previous 563 , to selected 558 
Changed over the bonds to Harmonic bonds in the DUFF frc file

fixed constraints.
Revision 563 - (view) (annotate) - [select for diffs]
Modified Mon Jun 23 21:24:03 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15623 byte(s)
Diff to previous 561 , to selected 558 
Doing some work to debug the constraint code.
Revision 561 - (view) (annotate) - [select for diffs]
Modified Fri Jun 20 20:29:36 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15512 byte(s)
Diff to previous 559 , to selected 558 
Most of the integrator and NVT seem to be working now.
Revision 559 - (view) (annotate) - [select for diffs]
Modified Thu Jun 19 22:02:44 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15958 byte(s)
Diff to previous 558 
slowly converting to new integrator and forcefield names.
Revision 558 - (view) (annotate) - [selected]
Added Thu Jun 19 19:21:23 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 15703 byte(s) 
finished the basics of the integrator and SimSetup.cpp

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