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

Revision 2000 - (view) (annotate) - [select for diffs]
Modified Sat May 31 22:35:05 2014 UTC (10 years, 11 months ago) by gezelter
File length: 21769 byte(s)
Diff to previous 1993 , to selected 3

Bug Fixes

Revision 1993 - (view) (annotate) - [select for diffs]
Modified Tue Apr 29 17:32:31 2014 UTC (11 years ago) by gezelter
File length: 21771 byte(s)
Diff to previous 1969 , to selected 3

Added sitePotentials for the Choi et al. potential-frequency maps for nitriles

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: 21427 byte(s)
Diff to previous 1964 , to selected 3

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

Revision 1964 - (view) (annotate) - [select for diffs]
Modified Thu Jan 16 16:00:43 2014 UTC (11 years, 3 months ago) by gezelter
File length: 21424 byte(s)
Diff to previous 1938 , to selected 3

Fixing some leaks

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: 21430 byte(s)
Diff to previous 1897 , to selected 3

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

Revision 1897 - (view) (annotate) - [select for diffs]
Modified Wed Jul 3 20:21:00 2013 UTC (11 years, 9 months ago) by gezelter
File length: 21430 byte(s)
Diff to previous 1879 , to selected 3

Fixing a DumpReader bug (I think) for site data on integrable objects that are not RigidBodies.

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: 21386 byte(s)
Diff to previous 1796 , to selected 3

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: 21345 byte(s)
Diff to previous 1793 , to selected 3

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

Revision 1793 - (view) (annotate) - [select for diffs]
Modified Fri Aug 31 21:16:10 2012 UTC (12 years, 8 months ago) by gezelter
File length: 21341 byte(s)
Diff to previous 1790 , to selected 3

Cleaning up some warning messages on linux

Revision 1790 - (view) (annotate) - [select for diffs]
Modified Thu Aug 30 17:18:22 2012 UTC (12 years, 8 months ago) by gezelter
File length: 21381 byte(s)
Diff to previous 1782 , to selected 3

Various Windows compilation fixes

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: 21311 byte(s)
Diff to previous 1610 , to selected 3

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1610 - (view) (annotate) - [select for diffs]
Modified Fri Aug 12 14:37:25 2011 UTC (13 years, 8 months ago) by gezelter
File length: 17375 byte(s)
Diff to previous 1450 , to selected 3

Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.

Revision 1450 - (view) (annotate) - [select for diffs]
Modified Thu Jun 17 19:11:37 2010 UTC (14 years, 10 months ago) by gezelter
File length: 17167 byte(s)
Diff to previous 1442 , to selected 3

Added tests to make sure requisite position & orientation information
are present in dump file.

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: 16321 byte(s)
Diff to previous 1390 , to selected 3

Adding property set to svn entries

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: 16321 byte(s)
Diff to previous 1313 , to selected 3

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

Revision 1313 - (view) (annotate) - [select for diffs]
Modified Wed Oct 22 20:01:49 2008 UTC (16 years, 6 months ago) by gezelter
File length: 16317 byte(s)
Diff to previous 1249 , to selected 3

General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function

Revision 1249 - (view) (annotate) - [select for diffs]
Modified Mon Jun 2 02:42:50 2008 UTC (16 years, 11 months ago) by gezelter
File length: 16222 byte(s)
Diff to previous 1241 , to selected 3

Fixed a bug in BlockSnapshotManager.

Revision 1241 - (view) (annotate) - [select for diffs]
Modified Fri Apr 25 15:14:47 2008 UTC (17 years ago) by gezelter
File length: 16223 byte(s)
Diff to previous 1112 , to selected 3

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

Revision 1112 - (view) (annotate) - [select for diffs]
Modified Wed Jan 3 20:47:00 2007 UTC (18 years, 3 months ago) by chuckv
File length: 16219 byte(s)
Diff to previous 1104 , to selected 3

Changes to add thetacorr to dynamic props and fixes to radial rcorr.

Revision 1104 - (view) (annotate) - [select for diffs]
Modified Fri Dec 29 21:43:18 2006 UTC (18 years, 4 months ago) by gezelter
File length: 16121 byte(s)
Diff to previous 1037 , to selected 3

Adding the ability to compute Center of Mass properties on
reading in a dump file.  DumpReader must be told if it needs
to do this, however.

Revision 1037 - (view) (annotate) - [select for diffs]
Modified Fri Sep 8 16:13:21 2006 UTC (18 years, 7 months ago) by gezelter
File length: 15805 byte(s)
Diff to previous 1025 , to selected 3

fixed a DumpReader bug, took out extra printing statements in
residentMem and BlockSnapshotManager

Revision 1025 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 20:33:44 2006 UTC (18 years, 8 months ago) by gezelter
File length: 15787 byte(s)
Diff to previous 1024 , to selected 3

fixed some bugs in DumpWriter, eliminated some extra printing of
debugging information

Revision 1024 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
File length: 15818 byte(s)
Diff to previous 996 , to selected 3

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

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: 19385 byte(s)
Diff to previous 984 , to selected 3

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

Revision 984 - (view) (annotate) - [select for diffs]
Modified Tue Jun 6 18:26:17 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 19406 byte(s)
Diff to previous 963 , to selected 3

fixed some typos

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: 19405 byte(s)
Diff to previous 721 , to selected 3

Adding single precision capabilities to c++ side

Revision 721 - (view) (annotate) - [select for diffs]
Modified Tue Nov 8 13:32:27 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 19397 byte(s)
Diff to previous 635 , to selected 3

Added a keyword and ability to output forces and torques

Revision 635 - (view) (annotate) - [select for diffs]
Modified Wed Sep 28 16:32:30 2005 UTC (19 years, 7 months ago) by gezelter
File length: 19397 byte(s)
Diff to previous 628 , to selected 3

tracking down quaternion bug

Revision 628 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 15:56:31 2005 UTC (19 years, 7 months ago) by tim
File length: 19399 byte(s)
Diff to previous 619 , to selected 3

fix a typo in DumpReader

Revision 619 - (view) (annotate) - [select for diffs]
Modified Wed Sep 21 20:59:31 2005 UTC (19 years, 7 months ago) by tim
File length: 19391 byte(s)
Diff to previous 601 , to selected 3

DumpReader using pure c++ io

Revision 601 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 19:17:04 2005 UTC (19 years, 7 months ago) by tim
File length: 19198 byte(s)
Diff to previous 507 , to selected 3

Fix a bug in DumpReader in case readFrame is called without calling getNFrames

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 19150 byte(s)
Diff to previous 417 , to selected 3

xemacs has been drafted to perform our indentation services

Revision 417 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 19167 byte(s)
Diff to previous 398 , to selected 3

First commit of the new restraints code

Revision 398 - (view) (annotate) - [select for diffs]
Modified Mon Mar 7 22:39:33 2005 UTC (20 years, 1 month ago) by tim
File length: 19673 byte(s)
Diff to previous 381 , to selected 3

Fixing a bug in BitSet.cpp

Revision 381 - (view) (annotate) - [select for diffs]
Modified Tue Mar 1 14:45:45 2005 UTC (20 years, 2 months ago) by tim
File length: 19680 byte(s)
Diff to previous 318 , to selected 3

adding MersenneTwister random number generator

Revision 318 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 06:57:48 2005 UTC (20 years, 2 months ago) by tim
File length: 19670 byte(s)
Diff to previous 274 , to selected 3

adding dynamicProps

Revision 274 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 21:59:18 2005 UTC (20 years, 3 months ago) by tim
File length: 18893 byte(s)
Diff to previous 273 , to selected 3

fix a bug in SimInfo, use number of cutoff stamp as counter to loop over rigidbody stamp

Revision 273 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 3 months ago) by tim
File length: 18330 byte(s)
Diff to previous 246 , to selected 3

(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 18312 byte(s)
Diff to previous 132 , to selected 3

merging new_design branch into OOPSE-2.0

Revision 132 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (20 years, 6 months ago) by tim
File length: 18214 byte(s)
Diff to previous 3

replace old GebericData with  new GenericData

Revision 3 - (view) (annotate) - [selected]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
File length: 18173 byte(s)
Diff to previous 2

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
File length: 18157 byte(s)
Diff to selected 3

Import of OOPSE v. 2.0

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