Revision 1764 - (view) (annotate) - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (12 years, 9 months ago) by gezelter
File length: 21617 byte(s)
Diff to previous 1752 , to selected 381

Refactored Snapshot and Stats to use the Accumulator classes.  Collected
a number of methods into Thermo that belonged there.

Added SiteData parsing and writing.

Revision 1714 - (view) (annotate) - [select for diffs]
Modified Sat May 19 18:12:46 2012 UTC (12 years, 11 months ago) by gezelter
File length: 18347 byte(s)
Diff to previous 1665 , to selected 381

Added ability to read / write dump files with fluctuating charges and
electric fields.

updated copyright notices

Revision 1629 - (view) (annotate) - [select for diffs]
Modified Wed Sep 14 21:15:17 2011 UTC (13 years, 7 months ago) by gezelter
File length: 17375 byte(s)
Diff to previous 1465 , to selected 381

Merging changes from old branch into development branch

Creating busticated version of OpenMD

Revision 1450 - (view) (annotate) - [select for diffs]
Modified Thu Jun 17 19:11:37 2010 UTC (14 years, 10 months ago) by gezelter
Original Path: trunk/src/io/DumpReader.cpp
File length: 17167 byte(s)
Diff to previous 1442 , to selected 381

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

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 16321 byte(s)
Diff to previous 1313 , to selected 381

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

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 16222 byte(s)
Diff to previous 1241 , to selected 381

Fixed a bug in BlockSnapshotManager.

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 16219 byte(s)
Diff to previous 1104 , to selected 381

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

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 15805 byte(s)
Diff to previous 1025 , to selected 381

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

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 15818 byte(s)
Diff to previous 996 , to selected 381

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.

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 19406 byte(s)
Diff to previous 963 , to selected 381

fixed some typos

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 19397 byte(s)
Diff to previous 635 , to selected 381

Added a keyword and ability to output forces and torques

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 19399 byte(s)
Diff to previous 619 , to selected 381

fix a typo in DumpReader

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 19198 byte(s)
Diff to previous 507 , to selected 381

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

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 19167 byte(s)
Diff to previous 398 , to selected 381

First commit of the new restraints code

Fixing a bug in BitSet.cpp

Revision 381 - (view) (annotate) - [selected]
Modified Tue Mar 1 14:45:45 2005 UTC (20 years, 2 months ago) by tim
Original Path: trunk/src/io/DumpReader.cpp
File length: 19680 byte(s)
Diff to previous 318

adding MersenneTwister random number generator

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
Original Path: trunk/src/io/DumpReader.cpp
File length: 18893 byte(s)
Diff to previous 273 , to selected 381

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

(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
Original Path: trunk/src/io/DumpReader.cpp
File length: 18312 byte(s)
Diff to previous 132 , to selected 381

merging new_design branch into OOPSE-2.0

replace old GebericData with  new GenericData

Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/io/DumpReader.cpp
File length: 18173 byte(s)
Diff to previous 2 , to selected 381

change the #include in source files

Import of OOPSE v. 2.0