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

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: 13497 byte(s)
Diff to previous 1782 , to selected 417

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: 13504 byte(s)
Diff to previous 1442 , to selected 417

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: 13522 byte(s)
Diff to previous 1409 , to selected 417

Adding property set to svn entries

Revision 1409 - (view) (annotate) - [select for diffs]
Modified Fri Jan 22 21:31:12 2010 UTC (15 years, 3 months ago) by gezelter
File length: 13522 byte(s)
Diff to previous 1408 , to selected 417

fixed a typo

Revision 1408 - (view) (annotate) - [select for diffs]
Modified Fri Jan 22 21:26:29 2010 UTC (15 years, 3 months ago) by gezelter
File length: 13525 byte(s)
Diff to previous 1407 , to selected 417

Removed hard-wired atom number, trying out the NULL returns in SimInfo.

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: 12741 byte(s)
Diff to previous 1390 , to selected 417

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: 10389 byte(s)
Diff to previous 1360 , to selected 417

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

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: 10381 byte(s)
Diff to previous 1241 , to selected 417

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 1241 - (view) (annotate) - [select for diffs]
Modified Fri Apr 25 15:14:47 2008 UTC (17 years ago) by gezelter
File length: 24573 byte(s)
Diff to previous 1030 , to selected 417

A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...

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: 24567 byte(s)
Diff to previous 996 , to selected 417

fixed TI MPI bug

Revision 996 - (view) (annotate) - [select for diffs]
Modified Wed Jun 28 14:35:14 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 24540 byte(s)
Diff to previous 990 , to selected 417

more efficient file reading for thermodynamic integration, and fixed some formatting

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: 26704 byte(s)
Diff to previous 985 , to selected 417

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

Revision 985 - (view) (annotate) - [select for diffs]
Modified Wed Jun 7 18:05:19 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 25930 byte(s)
Diff to previous 963 , to selected 417

Fixed a spelling error and a bug in MPI Thermodynamic Integration on file read-in

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: 25935 byte(s)
Diff to previous 507 , to selected 417

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: 25909 byte(s)
Diff to previous 431 , to selected 417

xemacs has been drafted to perform our indentation services

Revision 431 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 25935 byte(s)
Diff to previous 423 , to selected 417

fixed a bug in MPI restraints

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: 25981 byte(s)
Diff to previous 417

Oops...  MPI now builds...

Revision 417 - (view) (annotate) - [selected]
Added Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 26064 byte(s)

First commit of the new restraints code

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