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

Revision 2071 - (view) (annotate) - [select for diffs]
Modified Sat Mar 7 21:41:51 2015 UTC (10 years, 1 month ago) by gezelter
File length: 25287 byte(s)
Diff to previous 2020

Reducing the number of warnings when using g++ to compile.

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: 25280 byte(s)
Diff to previous 1993

Fixes for restraints, renaming of UniformField

Revision 1993 - (view) (annotate) - [select for diffs]
Modified Tue Apr 29 17:32:31 2014 UTC (11 years ago) by gezelter
File length: 25278 byte(s)
Diff to previous 1983

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

Revision 1983 - (view) (annotate) - [select for diffs]
Modified Tue Apr 15 20:36:19 2014 UTC (11 years ago) by gezelter
File length: 24422 byte(s)
Diff to previous 1971

Fixes for ConstraintWriter in parallel, some cppcheck cleanup
starting preparation for 2.2 release

Revision 1971 - (view) (annotate) - [select for diffs]
Modified Fri Feb 28 13:25:13 2014 UTC (11 years, 2 months ago) by gezelter
File length: 24418 byte(s)
Diff to previous 1969

Fixed a few MPI issues that were triggered in mpich.

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: 24415 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: 24421 byte(s)
Diff to previous 1921

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

Revision 1921 - (view) (annotate) - [select for diffs]
Modified Thu Aug 1 18:23:07 2013 UTC (11 years, 9 months ago) by gezelter
File length: 24400 byte(s)
Diff to previous 1880

Fixed a few DumpWriter / FlucQ bugs.  Still working on Ewald, updated 
Quadrupolar test structures.

Revision 1880 - (view) (annotate) - [select for diffs]
Modified Mon Jun 17 18:28:30 2013 UTC (11 years, 10 months ago) by gezelter
File length: 23848 byte(s)
Diff to previous 1879

Preparing for official 2.1 release (clean-up)

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: 23860 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: 23847 byte(s)
Diff to previous 1793

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: 20520 byte(s)
Diff to previous 1782

Cleaning up some warning messages on linux

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: 20508 byte(s)
Diff to previous 1610

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: 16377 byte(s)
Diff to previous 1564

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

Revision 1564 - (view) (annotate) - [select for diffs]
Modified Wed May 18 19:28:52 2011 UTC (13 years, 11 months ago) by chuckv
File length: 15681 byte(s)
Diff to previous 1442

Changed dumpwriter to synchronize file writing to avoid file descriptor issuse on large (>1000 nodes).

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: 15426 byte(s)
Diff to previous 1437

Adding property set to svn entries

Revision 1437 - (view) (annotate) - [select for diffs]
Modified Wed Apr 21 14:59:18 2010 UTC (15 years ago) by gezelter
File length: 15426 byte(s)
Diff to previous 1390

Adding nan/inf detection to DumpWriter, fixing one message

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: 11858 byte(s)
Diff to previous 1313

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: 11813 byte(s)
Diff to previous 1217

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

Revision 1217 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 21:23:02 2008 UTC (17 years, 3 months ago) by xsun
File length: 11810 byte(s)
Diff to previous 1025

Nothing important

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: 11789 byte(s)
Diff to previous 1024

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: 11857 byte(s)
Diff to previous 966

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 966 - (view) (annotate) - [select for diffs]
Modified Fri May 19 21:26:41 2006 UTC (18 years, 11 months ago) by chrisfen
File length: 21374 byte(s)
Diff to previous 965

Last bug showed up in 2 places, fixed the other one.

Revision 965 - (view) (annotate) - [select for diffs]
Modified Fri May 19 20:45:55 2006 UTC (18 years, 11 months ago) by tim
File length: 21397 byte(s)
Diff to previous 963

Fix a bug of printing empty line in DumpWriter

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: 21420 byte(s)
Diff to previous 854

Adding single precision capabilities to c++ side

Revision 854 - (view) (annotate) - [select for diffs]
Modified Thu Jan 12 19:56:30 2006 UTC (19 years, 3 months ago) by chuckv
File length: 21400 byte(s)
Diff to previous 791

Changed formating.

Revision 791 - (view) (annotate) - [select for diffs]
Modified Tue Dec 6 17:52:45 2005 UTC (19 years, 4 months ago) by chuckv
File length: 21400 byte(s)
Diff to previous 726

Overloaded interface for dumpwriter.

Revision 726 - (view) (annotate) - [select for diffs]
Modified Fri Nov 11 15:22:11 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 20214 byte(s)
Diff to previous 721

added in a 5th order polynomial switching function option

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: 20210 byte(s)
Diff to previous 619

Added a keyword and ability to output forces and torques

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: 17658 byte(s)
Diff to previous 615

DumpReader using pure c++ io

Revision 615 - (view) (annotate) - [select for diffs]
Modified Tue Sep 20 21:22:38 2005 UTC (19 years, 7 months ago) by tim
File length: 17523 byte(s)
Diff to previous 507

adding zlib support for DumpWriter

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 16950 byte(s)
Diff to previous 395

xemacs has been drafted to perform our indentation services

Revision 395 - (view) (annotate) - [select for diffs]
Modified Thu Mar 3 14:40:20 2005 UTC (20 years, 2 months ago) by tim
File length: 20729 byte(s)
Diff to previous 376

avoid using const char*(hope can fixed the missing atom type problem)

Revision 376 - (view) (annotate) - [select for diffs]
Modified Thu Feb 24 20:55:07 2005 UTC (20 years, 2 months ago) by tim
File length: 20918 byte(s)
Diff to previous 324

adding basic_teebuf which can operate on multiple stream simutaneously.

Revision 324 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 2 months ago) by tim
File length: 18925 byte(s)
Diff to previous 251

dynamicProps get built

Revision 251 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 23:24:55 2005 UTC (20 years, 3 months ago) by tim
File length: 18909 byte(s)
Diff to previous 246

remove useless debug info

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: 18988 byte(s)
Diff to previous 221

merging new_design branch into OOPSE-2.0

Revision 221 - (view) (annotate) - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (20 years, 5 months ago) by chrisfen
File length: 17366 byte(s)
Diff to previous 3

Improvements to restraints

Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
File length: 17482 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: 17466 byte(s)

Import of OOPSE v. 2.0

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