[ViewVC] Log of: OpenMD/trunk/src/io/RestWriter.cpp

Revision 2021 - (view) (annotate) - [select for diffs]
Modified Tue Sep 23 15:25:08 2014 UTC (10 years, 7 months ago) by gezelter
File length: 9364 byte(s)
Diff to previous 2020

Took out a spurious debugging line

Revision 2020 - (view) (annotate) - [select for diffs]
Modified Mon Sep 22 19:18:35 2014 UTC (10 years, 7 months ago) by gezelter
File length: 9417 byte(s)
Diff to previous 1969

Fixes for restraints, renaming of UniformField

Revision 1969 - (view) (annotate) - [select for diffs]
Modified Wed Feb 26 14:14:50 2014 UTC (11 years, 2 months ago) by gezelter
File length: 8590 byte(s)
Diff to previous 1938

Fixes to deal with deprecation of MPI C++ bindings.  We've reverted back to the
C calls.

Revision 1938 - (view) (annotate) - [select for diffs]
Modified Thu Oct 31 15:32:17 2013 UTC (11 years, 6 months ago) by gezelter
File length: 8592 byte(s)
Diff to previous 1879

Some MPI include re-ordering to work with the Intel MPI implementation.

Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File length: 8592 byte(s)
Diff to previous 1796

MERGE OpenMD development 1783:1878 into trunk

Revision 1796 - (view) (annotate) - [select for diffs]
Modified Mon Sep 10 18:38:44 2012 UTC (12 years, 7 months ago) by gezelter
File length: 8591 byte(s)
Diff to previous 1782

Updating MPI calls to C++, fixing a DumpWriter bug, cleaning cruft

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 8589 byte(s)
Diff to previous 1442

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
File length: 8523 byte(s)
Diff to previous 1407

Adding property set to svn entries

Revision 1407 - (view) (annotate) - [select for diffs]
Modified Wed Jan 20 16:04:40 2010 UTC (15 years, 3 months ago) by cli2
File length: 8523 byte(s)
Diff to previous 1390

Fixed bugs in Restraint, refactored RestReader and RestWriter

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 4605 byte(s)
Diff to previous 1364

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1364 - (view) (annotate) - [select for diffs]
Modified Wed Oct 7 20:49:50 2009 UTC (15 years, 6 months ago) by cli2
File length: 4552 byte(s)
Diff to previous 1360

Bug fixes in the SelectionEvaluator and SelectionCompiler
Added print option in Restraints

Revision 1360 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 4462 byte(s)
Diff to previous 1030

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 1030 - (view) (annotate) - [select for diffs]
Modified Fri Sep 1 14:15:05 2006 UTC (18 years, 8 months ago) by chrisfen
File length: 7037 byte(s)
Diff to previous 993

fixed TI MPI bug

Revision 993 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 7005 byte(s)
Diff to previous 990

MPI thermodynamic integration works now.

Revision 990 - (view) (annotate) - [select for diffs]
Modified Mon Jun 19 01:36:06 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 6824 byte(s)
Diff to previous 963

fixes for mpi thermodynamic integration, close to fully working...

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File length: 6440 byte(s)
Diff to previous 507

Adding single precision capabilities to c++ side

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 6426 byte(s)
Diff to previous 423

xemacs has been drafted to perform our indentation services

Revision 423 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 6419 byte(s)
Diff to previous 417

Oops...  MPI now builds...

Revision 417 - (view) (annotate) - [select for diffs]
Added Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 6402 byte(s)

First commit of the new restraints code

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