ViewVC Help
View Directory | Revision Log | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/dynamicProps
Revision 2004 - Directory Listing - [select for diffs]
Modified Tue Jun 3 16:51:43 2014 UTC (10 years, 11 months ago) by gezelter
Diff to previous 2003 
Added an unload block
Revision 2003 - Directory Listing - [select for diffs]
Modified Sun Jun 1 19:28:44 2014 UTC (10 years, 11 months ago) by gezelter
Diff to previous 1962 
Added Frequency Fluctuation Correlation Function
Revision 1962 - Directory Listing - [select for diffs]
Modified Wed Jan 15 22:26:18 2014 UTC (11 years, 3 months ago) by gezelter
Diff to previous 1953 
Some potential bug fixes.
Revision 1953 - Directory Listing - [select for diffs]
Modified Thu Dec 5 18:19:26 2013 UTC (11 years, 5 months ago) by gezelter
Diff to previous 1939 
Rewrote much of selection module, added a bond correlation function
Revision 1939 - Directory Listing - [select for diffs]
Modified Thu Oct 31 18:18:57 2013 UTC (11 years, 6 months ago) by gezelter
Diff to previous 1937 
Some fixes for MSVC compilation
Revision 1937 - Directory Listing - [select for diffs]
Modified Tue Oct 29 16:02:58 2013 UTC (11 years, 6 months ago) by gezelter
Diff to previous 1934 
Fixed a few bugs and added some sanity checks in the analysis codes.
Revision 1934 - Directory Listing - [select for diffs]
Modified Mon Aug 26 14:15:09 2013 UTC (11 years, 8 months ago) by gezelter
Diff to previous 1915 
Added OH bond time correlation function
Revision 1915 - Directory Listing - [select for diffs]
Modified Mon Jul 29 17:55:17 2013 UTC (11 years, 9 months ago) by gezelter
Diff to previous 1879 
Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ
Revision 1879 - Directory Listing - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1816 
MERGE OpenMD development 1783:1878 into trunk
Revision 1816 - Directory Listing - [select for diffs]
Modified Fri Dec 7 18:33:33 2012 UTC (12 years, 5 months ago) by gezelter
Diff to previous 1815 
Updated selections to be frame-addressable (to support selection correlation
function).
Revision 1815 - Directory Listing - [select for diffs]
Modified Wed Dec 5 21:10:30 2012 UTC (12 years, 5 months ago) by gezelter
Diff to previous 1811 
Fixed a possible bug in histogram in Time correlation functions
Revision 1811 - Directory Listing - [select for diffs]
Modified Fri Nov 16 15:12:21 2012 UTC (12 years, 5 months ago) by gezelter
Diff to previous 1796 
Adding the selection correlation function, fixing a sample directory
Revision 1796 - Directory Listing - [select for diffs]
Modified Mon Sep 10 18:38:44 2012 UTC (12 years, 7 months ago) by gezelter
Diff to previous 1795 
Updating MPI calls to C++, fixing a DumpWriter bug, cleaning cruft
Revision 1795 - Directory Listing - [select for diffs]
Modified Fri Sep 7 18:13:55 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1793 
Windows fixes
Revision 1793 - Directory Listing - [select for diffs]
Modified Fri Aug 31 21:16:10 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1782 
Cleaning up some warning messages on linux
Revision 1782 - Directory Listing - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1687 
MERGE OpenMD development branch 1465:1781 into trunk
Revision 1687 - Directory Listing - [select for diffs]
Modified Sat Mar 10 16:00:24 2012 UTC (13 years, 2 months ago) by gezelter
Diff to previous 1615 
Fixes for LLVM compilation
Bug fix for Gay Berne potential with switching functions
Revision 1615 - Directory Listing - [select for diffs]
Modified Fri Aug 26 17:55:44 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1609 
Added Momentum correlation function, imported changes from Vector from
development branch, updated comments in some integrators
Revision 1609 - Directory Listing - [select for diffs]
Modified Wed Aug 10 15:52:05 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1606 
New attempt using Helfand's original papers
Revision 1606 - Directory Listing - [select for diffs]
Modified Mon Aug 8 19:02:58 2011 UTC (13 years, 9 months ago) by jmichalk
Diff to previous 1604 
Forgot to svn add the SystemDipoleCorrFunc.hpp/cpp. Should be done adding/committing for now though. -JRM
Revision 1604 - Directory Listing - [select for diffs]
Modified Mon Aug 8 18:53:40 2011 UTC (13 years, 9 months ago) by jmichalk
Diff to previous 1596 
This commit should allow EADM simulations to be run on the cluster. Main additions include EADM_FF.hpp/cpp as well as a system dipole correlation option in DynamicProps.
Revision 1596 - Directory Listing - [select for diffs]
Modified Mon Jul 25 17:30:53 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1566 
Updated the BlockSnapshotManager to use a specified memory footprint
in constructor and not to rely on physmem and residentMem to figure
out free memory. DynamicProps is the only program that uses the
BlockSnapshotManager, so substantial changes were needed there as
well.
Revision 1566 - Directory Listing - [select for diffs]
Modified Thu May 19 18:12:09 2011 UTC (13 years, 11 months ago) by chuckv
Diff to previous 1565 
Updated some bugs so dynamic props builds again. Stress Corr func is still a work in progress.
Revision 1565 - Directory Listing - [select for diffs]
Modified Thu May 19 14:28:04 2011 UTC (13 years, 11 months ago) by chuckv
Diff to previous 1464 
Added files for stress correlation funcion.
Revision 1464 - Directory Listing - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1442 
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years ago) by gezelter
Diff to previous 1390 
Adding property set to svn entries
Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Diff to previous 1319 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1319 - Directory Listing - [select for diffs]
Modified Wed Nov 19 19:56:16 2008 UTC (16 years, 5 months ago) by gezelter
Diff to previous 1313 
missing energyConvert in kinetic energy
Revision 1313 - Directory Listing - [select for diffs]
Modified Wed Oct 22 20:01:49 2008 UTC (16 years, 6 months ago) by gezelter
Diff to previous 1249 
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function
Revision 1249 - Directory Listing - [select for diffs]
Modified Mon Jun 2 02:42:50 2008 UTC (16 years, 11 months ago) by gezelter
Diff to previous 1248 
Fixed a bug in BlockSnapshotManager.
Revision 1248 - Directory Listing - [select for diffs]
Modified Fri May 30 14:17:40 2008 UTC (16 years, 11 months ago) by chuckv
Diff to previous 1247 
Added back correct form, still not updating frames.
Revision 1247 - Directory Listing - [select for diffs]
Modified Fri May 30 14:15:28 2008 UTC (16 years, 11 months ago) by chuckv
Diff to previous 1246 
More changes, still broken.
Revision 1246 - Directory Listing - [select for diffs]
Modified Tue May 27 21:24:40 2008 UTC (16 years, 11 months ago) by chuckv
Diff to previous 1245 
Files for Hefland moment.
Revision 1245 - Directory Listing - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
Diff to previous 1213 
Checking in changes for Hefland moment calculations
Revision 1213 - Directory Listing - [select for diffs]
Modified Wed Jan 23 21:21:50 2008 UTC (17 years, 3 months ago) by xsun
Diff to previous 1183 
fixed a few correlation functions
Revision 1183 - Directory Listing - [select for diffs]
Modified Tue Oct 2 12:05:25 2007 UTC (17 years, 7 months ago) by xsun
Diff to previous 1114 
Added: Action Correlation function (for viscosity), Directional RCorr (for
non-spherical bodies)
Modified: LCorr (for multiple axes)
Revision 1114 - Directory Listing - [select for diffs]
Modified Mon Jan 8 21:32:19 2007 UTC (18 years, 4 months ago) by chuckv
Diff to previous 1112 
Added thetacorr functions to dynamic props.
Revision 1112 - Directory Listing - [select for diffs]
Modified Wed Jan 3 20:47:00 2007 UTC (18 years, 4 months ago) by chuckv
Diff to previous 1111 
Changes to add thetacorr to dynamic props and fixes to radial rcorr.
Revision 1111 - Directory Listing - [select for diffs]
Modified Wed Jan 3 04:40:50 2007 UTC (18 years, 4 months ago) by chuckv
Diff to previous 1110 
Remove snapshotcentroid from makefile.
Revision 1110 - Directory Listing - [select for diffs]
Modified Wed Jan 3 04:40:11 2007 UTC (18 years, 4 months ago) by chuckv
Diff to previous 1104 
Removeing snapshot centroid and adding support for COM calculaton from snapshot.
Revision 1104 - Directory Listing - [select for diffs]
Modified Fri Dec 29 21:43:18 2006 UTC (18 years, 4 months ago) by gezelter
Diff to previous 1098 
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 1098 - Directory Listing - [select for diffs]
Modified Thu Dec 14 19:38:56 2006 UTC (18 years, 4 months ago) by chuckv
Diff to previous 1096 
Code to run radial rcorr.
Revision 1096 - Directory Listing - [select for diffs]
Modified Wed Dec 6 01:05:43 2006 UTC (18 years, 5 months ago) by chuckv
Diff to previous 1026 
Adding support for radial rcorr.
Revision 1026 - Directory Listing - [select for diffs]
Modified Wed Aug 30 21:04:04 2006 UTC (18 years, 8 months ago) by gezelter
Diff to previous 963 
Changing utility programs to use the new file format
Revision 963 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
Diff to previous 922 
Adding single precision capabilities to c++ side
Revision 922 - Directory Listing - [select for diffs]
Modified Wed Mar 29 18:11:37 2006 UTC (19 years, 1 month ago) by tim
Diff to previous 917 
Fix the normalization problem in calculating correlation functions
Revision 917 - Directory Listing - [select for diffs]
Modified Fri Mar 24 17:29:07 2006 UTC (19 years, 1 month ago) by tim
Diff to previous 916 
back to previous DynamicProps
Revision 916 - Directory Listing - [select for diffs]
Modified Fri Mar 24 16:49:09 2006 UTC (19 years, 1 month ago) by tim
Diff to previous 887 
Adding position correlation function. The command line option for DynamicProps is now changed. --rcorr is for position correlation and --rmsd is for mean square displacement.
Revision 887 - Directory Listing - [select for diffs]
Modified Fri Feb 10 15:45:02 2006 UTC (19 years, 3 months ago) by kdaily
Diff to previous 884 
*** empty log message ***
Revision 884 - Directory Listing - [select for diffs]
Modified Tue Feb 7 16:39:23 2006 UTC (19 years, 3 months ago) by tim
Diff to previous 876 
Fixing a bug which reads the wrong frame of trajectory file during analysis
Revision 876 - Directory Listing - [select for diffs]
Modified Mon Jan 30 22:25:27 2006 UTC (19 years, 3 months ago) by tim
Diff to previous 507 
Adding :LegendrePolynomial
Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Diff to previous 447 
xemacs has been drafted to perform our indentation services
Revision 447 - Directory Listing - [select for diffs]
Modified Tue Mar 22 16:38:37 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 369 
avoid building parallel executable for dump2XYZ, simpleBuilder, staticProps and dynamicProps
Revision 369 - Directory Listing - [select for diffs]
Modified Fri Feb 18 23:07:32 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 353 
adding LipidTransVisitor, GofXyz is working now
Revision 353 - Directory Listing - [select for diffs]
Modified Wed Feb 16 19:36:30 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 351 
change the suffix of output files;fix the problem of counting in staticProps
Revision 351 - Directory Listing - [select for diffs]
Modified Tue Feb 15 19:36:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 334 
BlockSnapshotManager is using reference counting now
Revision 334 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 333 
begin bug fix
Revision 333 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:35:25 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 332 
refactory CorrelationFunction
Revision 332 - Directory Listing - [select for diffs]
Modified Mon Feb 14 15:18:09 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 330 
bug fix and start of switch for type of correlation function
Revision 330 - Directory Listing - [select for diffs]
Modified Sun Feb 13 21:03:07 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 329 
more fix
Revision 329 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:57:54 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 326 
fixed a bug in CorrelationFunction
Revision 326 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 324 
maximum length defaults to the cutoff radius
Revision 324 - Directory Listing - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 323 
dynamicProps get built
Revision 323 - Directory Listing - [select for diffs]
Modified Sun Feb 13 15:56:10 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 322 
dynamicProps in progress
Revision 322 - Directory Listing - [select for diffs]
Modified Sun Feb 13 08:05:33 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 321 
more work in dynamicProps
Revision 321 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:25:22 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 320 
adding dynamicProps
Revision 320 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:14:59 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 319 
adding command line option to DynamicProps
Revision 319 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:13:27 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 318 
adding command line option for DynamicProps
Revision 318 - Directory Listing - [select for diffs]
Added Sun Feb 13 06:57:48 2005 UTC (20 years, 2 months ago) by tim 
adding dynamicProps

Convenience Links