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Revision 1465 - Directory Listing - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
Diff to previous 1464 
Creating busticated version of OpenMD
Revision 1464 - Directory Listing - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1442 
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1407 
Adding property set to svn entries
Revision 1407 - Directory Listing - [select for diffs]
Modified Wed Jan 20 16:04:40 2010 UTC (15 years, 3 months ago) by cli2
Original Path: trunk/src/restraints
Diff to previous 1398 
Fixed bugs in Restraint, refactored RestReader and RestWriter
Revision 1398 - Directory Listing - [select for diffs]
Modified Tue Dec 8 22:17:02 2009 UTC (15 years, 4 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1396 
Parallel bugfix in RestraintForceManager
Reverted back to hydrodynamics on triangular plates for SMIPDForceManager
Removed thermalLength and thermalConductivity keywords from Globals.
Bug tracking in openmdformat (not yet resolved).
Revision 1396 - Directory Listing - [select for diffs]
Modified Sat Dec 5 02:57:05 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1390 
Merging changes skipped in working copies of OOPSE into the OpenMD
tree, fixing make install
Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1366 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1366 - Directory Listing - [select for diffs]
Modified Fri Oct 16 20:42:29 2009 UTC (15 years, 6 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1364 
more checks for parallel molIndex stuff
Revision 1364 - Directory Listing - [select for diffs]
Modified Wed Oct 7 20:49:50 2009 UTC (15 years, 6 months ago) by cli2
Original Path: trunk/src/restraints
Diff to previous 1361 
Bug fixes in the SelectionEvaluator and SelectionCompiler
Added print option in Restraints
Revision 1361 - Directory Listing - [select for diffs]
Modified Tue Sep 8 13:45:27 2009 UTC (15 years, 7 months ago) by cli2
Original Path: trunk/src/restraints
Diff to previous 1360 
Added missing restraint file
Revision 1360 - Directory Listing - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
Original Path: trunk/src/restraints
Diff to previous 1225 
Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator
Revision 1225 - Directory Listing - [select for diffs]
Modified Fri Feb 8 21:33:46 2008 UTC (17 years, 2 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 1129 
updating configure process
Revision 1129 - Directory Listing - [select for diffs]
Modified Fri Apr 20 18:15:48 2007 UTC (18 years ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 1029 
SF Lennard-Jones was added for everyones' enjoyment.  The behavior is tethered to the electrostaticSummationMethod keyword.
Revision 1029 - Directory Listing - [select for diffs]
Modified Thu Aug 31 22:34:49 2006 UTC (18 years, 8 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 1028 
fixes to zang writing
Revision 1028 - Directory Listing - [select for diffs]
Modified Thu Aug 31 20:12:12 2006 UTC (18 years, 8 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 998 
converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration
Revision 998 - Directory Listing - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 993 
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision 993 - Directory Listing - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 990 
MPI thermodynamic integration works now.
Revision 990 - Directory Listing - [select for diffs]
Modified Mon Jun 19 01:36:06 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 963 
fixes for mpi thermodynamic integration, close to fully working...
Revision 963 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
Original Path: trunk/src/restraints
Diff to previous 666 
Adding single precision capabilities to c++ side
Revision 666 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 6 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 665 
added default restraint spring constants into Globals
Revision 665 - Directory Listing - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
Original Path: trunk/src/restraints
Diff to previous 507 
rewrite Globals
Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 437 
xemacs has been drafted to perform our indentation services
Revision 437 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 431 
added some samples
Revision 431 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 423 
fixed a bug in MPI restraints
Revision 423 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 420 
Oops...  MPI now builds...
Revision 420 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 419 
fixes to restraints
Revision 419 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 417 
fixing restraints
Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 267 
First commit of the new restraints code
Revision 267 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:13:24 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 221 
moved Package variable into subdirectory makefiles to speed up
the building process
Revision 221 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 215 
Improvements to restraints
Revision 215 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:47:25 2004 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 46 
working towards parallel restraints
Revision 46 - Directory Listing - [select for diffs]
Modified Wed Oct 6 21:27:21 2004 UTC (20 years, 7 months ago) by gezelter
Original Path: trunk/src/restraints
Diff to previous 43 
Chris doesn't know about the OOPSE-2.0 directory structure yet
Revision 43 - Directory Listing - [select for diffs]
Modified Wed Oct 6 20:01:07 2004 UTC (20 years, 7 months ago) by chrisfen
Original Path: trunk/src/restraints
Diff to previous 24 
made the file reading in restraints more intelligent - no longer gives uninformative seg faults
Revision 24 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/restraints
Diff to previous 14 
define DEV_ROOT as relative path
Revision 14 - Directory Listing - [select for diffs]
Modified Wed Sep 29 14:59:25 2004 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/restraints
Diff to previous 3 
change Makefile to relative path
Revision 3 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/restraints
Diff to previous 2 
change the #include in source files
Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
Original Path: trunk/src/restraints 
Import of OOPSE v. 2.0

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