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root/group/trunk/OOPSE/libmdtools/StatWriter.cpp
Revision 1212 - (view) (annotate) - [select for diffs]
Modified Tue Jun 1 17:15:43 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 3526 byte(s)
Diff to previous 1207 
Implemented a separate solid and liquid thermodynamic integration routines
Revision 1207 - (view) (annotate) - [select for diffs]
Modified Thu May 27 20:06:38 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 2638 byte(s)
Diff to previous 1187 
Fixed a bug in Integrator.cpp where it called writeRaw() when useThermInt = false...
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: 2638 byte(s)
Diff to previous 1180 
Fixed Thermodynamic integration code.
Revision 1180 - (view) (annotate) - [select for diffs]
Modified Thu May 20 20:24:07 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 2615 byte(s)
Diff to previous 1078 
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.
Revision 1078 - (view) (annotate) - [select for diffs]
Modified Tue Mar 2 20:32:40 2004 UTC (20 years, 4 months ago) by tim
File length: 1894 byte(s)
Diff to previous 829 
add LARGEFILE_SOURCE64 macro to support large file
Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (20 years, 8 months ago) by gezelter
File length: 1866 byte(s)
Diff to previous 799 
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
Revision 799 - (view) (annotate) - [select for diffs]
Modified Fri Oct 3 22:11:53 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 1865 byte(s)
Diff to previous 763 
removed entahlpy from the statwriter and thermo.
Revision 763 - (view) (annotate) - [select for diffs]
Modified Mon Sep 15 16:52:02 2003 UTC (20 years, 9 months ago) by tim
File length: 1947 byte(s)
Diff to previous 723 
add conserved quantity to statWriter
fix bug of vector wrapping at NPTi
Revision 723 - (view) (annotate) - [select for diffs]
Modified Tue Aug 26 20:12:51 2003 UTC (20 years, 10 months ago) by mmeineke
File length: 1791 byte(s)
Diff to previous 484 
added define statemewnt to Statwriter and Dumpwriter to handle files larger than 2 gb.

commented out some print statements in Zconstraint
Revision 484 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 13:59:35 2003 UTC (21 years, 3 months ago) by gezelter
File length: 1761 byte(s)
Diff to previous 477 
Added volume and enthalpy to status file
Revision 477 - (view) (annotate) - [select for diffs]
Modified Tue Apr 8 14:34:30 2003 UTC (21 years, 3 months ago) by gezelter
File length: 1613 byte(s)
Diff to previous 468 
dt/2 fix in nvt
Revision 468 - (view) (annotate) - [select for diffs]
Modified Mon Apr 7 16:56:38 2003 UTC (21 years, 3 months ago) by gezelter
File length: 1665 byte(s)
Diff to previous 378 
Many fixes to add extended system
Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 1540 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/StatWriter.cpp revision 377
Diff to previous 377 
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
Revision 377 - (view) (annotate) - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
Original Path: branches/mmeineke/OOPSE/libmdtools/StatWriter.cpp
File length: 1540 byte(s) 
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