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root/group/trunk/OOPSE/libmdtools/Restraints.cpp
Revision 1194 - (view) (annotate) - [select for diffs]
Modified Mon May 24 21:23:36 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 10550 byte(s)
Diff to previous 1189 
Removed unnecessary variables and changed error messages in Restraints.cpp
Revision 1189 - (view) (annotate) - [select for diffs]
Modified Sat May 22 20:55:04 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 10543 byte(s)
Diff to previous 1187 
Fixed an error in Restraints.cpp...  Too many arguements in a function call.
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: 10512 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: 12621 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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