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root/group/trunk/OOPSE/libmdtools/Restraints.hpp
Revision 1187 - (view) (annotate) - [select for diffs]
Modified Sat May 22 18:16:18 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 2041 byte(s)
Diff to previous 1180 
Fixed Thermodynamic integration code.
Revision 1180 - (view) (annotate) - [select for diffs]
Added Thu May 20 20:24:07 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 2221 byte(s) 
Several additions... Restraints.cpp and .hpp were included for restraining particles in thermodynamic integration.  By including these, changes were made in Integrator, SimInfo, ForceFeilds, SimSetup, StatWriter, and possibly some other files.  Two bass keywords were also added for performing thermodynamic integration: a lambda value one and a k power one.

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