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Revision 1670 - Directory Listing - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 8 months ago) by chuckv
Diff to previous 1393 
Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.
Revision 1393 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:36:46 2009 UTC (15 years, 10 months ago) by gezelter
Original Path: trunk/samples/thermoIntegration
Diff to previous 1390 
removing spurious cutoffGroup lines from default water.md sample files
Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 10 months ago) by gezelter
Original Path: trunk/samples/thermoIntegration
Diff to previous 1146 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1146 - Directory Listing - [select for diffs]
Modified Sat Jun 2 20:53:20 2007 UTC (18 years, 4 months ago) by chuckv
Original Path: trunk/samples/thermoIntegration
Diff to previous 1028 
Fixed Makefile problems with the samples and added several missing makefiles.
Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (19 years, 1 month ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 1009 
converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration
Revision 1009 - Directory Listing - [select for diffs]
Modified Wed Jul 19 12:46:20 2006 UTC (19 years, 3 months ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 979 
Added tred to sample water.md files
Revision 979 - Directory Listing - [select for diffs]
Modified Thu May 25 21:40:57 2006 UTC (19 years, 4 months ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 942 
Added TIP5P-E and fixed a bug for Thermodynamic integration (you can now have a lambda of 0)
Revision 942 - Directory Listing - [select for diffs]
Modified Fri Apr 21 19:32:07 2006 UTC (19 years, 6 months ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 790 
Removed sqrt splines and shape stuff (doesn't work, so why was it in there?).  Changed some of the water samples to use shifted_force.  Probably should set the defaults to use the damped version now that we sped it up.
Revision 790 - Directory Listing - [select for diffs]
Modified Tue Dec 6 16:49:59 2005 UTC (19 years, 10 months ago) by tim
Original Path: trunk/samples/thermoIntegration
Diff to previous 666 
remove deprecated keywords from samples
Revision 666 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (20 years ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 627 
added default restraint spring constants into Globals
Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (20 years ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 438 
fixing up some samples
Revision 438 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:12:56 2005 UTC (20 years, 7 months ago) by chrisfen
Original Path: trunk/samples/thermoIntegration
Diff to previous 437 
forgot a couple of makefiles
Revision 437 - Directory Listing - [select for diffs]
Added Sat Mar 12 19:05:16 2005 UTC (20 years, 7 months ago) by chrisfen
Original Path: trunk/samples/thermoIntegration 
added some samples

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