[ViewVC] Log of: OpenMD/trunk/src/applications/dynamicProps

Revision 1606 - Directory Listing - [select for diffs]
Modified Mon Aug 8 19:02:58 2011 UTC (14 years, 3 months ago) by jmichalk
Diff to previous 1604 , to selected 1114

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 (14 years, 3 months ago) by jmichalk
Diff to previous 1596 , to selected 1114

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 (14 years, 4 months ago) by gezelter
Diff to previous 1566 , to selected 1114

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 (14 years, 6 months ago) by chuckv
Diff to previous 1565 , to selected 1114

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 (14 years, 6 months ago) by chuckv
Diff to previous 1464 , to selected 1114

Added files for stress correlation funcion.

Revision 1464 - Directory Listing - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (15 years, 4 months ago) by gezelter
Diff to previous 1442 , to selected 1114

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, 6 months ago) by gezelter
Diff to previous 1390 , to selected 1114

Adding property set to svn entries

Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years ago) by gezelter
Diff to previous 1319 , to selected 1114

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 (17 years ago) by gezelter
Diff to previous 1313 , to selected 1114

missing energyConvert in kinetic energy

Revision 1313 - Directory Listing - [select for diffs]
Modified Wed Oct 22 20:01:49 2008 UTC (17 years, 1 month ago) by gezelter
Diff to previous 1249 , to selected 1114

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 (17 years, 5 months ago) by gezelter
Diff to previous 1248 , to selected 1114

Fixed a bug in BlockSnapshotManager.

Revision 1248 - Directory Listing - [select for diffs]
Modified Fri May 30 14:17:40 2008 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1247 , to selected 1114

Added back correct form, still not updating frames.

Revision 1247 - Directory Listing - [select for diffs]
Modified Fri May 30 14:15:28 2008 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1246 , to selected 1114

More changes, still broken.

Revision 1246 - Directory Listing - [select for diffs]
Modified Tue May 27 21:24:40 2008 UTC (17 years, 6 months ago) by chuckv
Diff to previous 1245 , to selected 1114

Files for Hefland moment.

Revision 1245 - Directory Listing - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (17 years, 6 months ago) by chuckv
Diff to previous 1213 , to selected 1114

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, 10 months ago) by xsun
Diff to previous 1183 , to selected 1114

fixed a few correlation functions

Revision 1183 - Directory Listing - [select for diffs]
Modified Tue Oct 2 12:05:25 2007 UTC (18 years, 1 month 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 - [selected]
Modified Mon Jan 8 21:32:19 2007 UTC (18 years, 10 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, 10 months ago) by chuckv
Diff to previous 1111 , to selected 1114

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, 10 months ago) by chuckv
Diff to previous 1110 , to selected 1114

Remove snapshotcentroid from makefile.

Revision 1110 - Directory Listing - [select for diffs]
Modified Wed Jan 3 04:40:11 2007 UTC (18 years, 10 months ago) by chuckv
Diff to previous 1104 , to selected 1114

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, 10 months ago) by gezelter
Diff to previous 1098 , to selected 1114

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, 11 months ago) by chuckv
Diff to previous 1096 , to selected 1114

Code to run radial rcorr.

Revision 1096 - Directory Listing - [select for diffs]
Modified Wed Dec 6 01:05:43 2006 UTC (18 years, 11 months ago) by chuckv
Diff to previous 1026 , to selected 1114

Adding support for radial rcorr.

Revision 1026 - Directory Listing - [select for diffs]
Modified Wed Aug 30 21:04:04 2006 UTC (19 years, 2 months ago) by gezelter
Diff to previous 963 , to selected 1114

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 (19 years, 6 months ago) by tim
Diff to previous 922 , to selected 1114

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, 7 months ago) by tim
Diff to previous 917 , to selected 1114

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, 8 months ago) by tim
Diff to previous 916 , to selected 1114

back to previous DynamicProps

Revision 916 - Directory Listing - [select for diffs]
Modified Fri Mar 24 16:49:09 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 887 , to selected 1114

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, 9 months ago) by kdaily
Diff to previous 884 , to selected 1114

*** empty log message ***

Revision 884 - Directory Listing - [select for diffs]
Modified Tue Feb 7 16:39:23 2006 UTC (19 years, 9 months ago) by tim
Diff to previous 876 , to selected 1114

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, 9 months ago) by tim
Diff to previous 507 , to selected 1114

Adding :LegendrePolynomial

Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 7 months ago) by gezelter
Diff to previous 447 , to selected 1114

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, 8 months ago) by tim
Diff to previous 369 , to selected 1114

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, 9 months ago) by tim
Diff to previous 353 , to selected 1114

adding LipidTransVisitor, GofXyz is working now

Revision 353 - Directory Listing - [select for diffs]
Modified Wed Feb 16 19:36:30 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 351 , to selected 1114

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, 9 months ago) by tim
Diff to previous 334 , to selected 1114

BlockSnapshotManager is using reference counting now

Revision 334 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 333 , to selected 1114

begin bug fix

Revision 333 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:35:25 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 332 , to selected 1114

refactory CorrelationFunction

Revision 332 - Directory Listing - [select for diffs]
Modified Mon Feb 14 15:18:09 2005 UTC (20 years, 9 months ago) by gezelter
Diff to previous 330 , to selected 1114

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, 9 months ago) by tim
Diff to previous 329 , to selected 1114

more fix

Revision 329 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:57:54 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 326 , to selected 1114

fixed a bug in CorrelationFunction

Revision 326 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 324 , to selected 1114

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, 9 months ago) by tim
Diff to previous 323 , to selected 1114

dynamicProps get built

Revision 323 - Directory Listing - [select for diffs]
Modified Sun Feb 13 15:56:10 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 322 , to selected 1114

dynamicProps in progress

Revision 322 - Directory Listing - [select for diffs]
Modified Sun Feb 13 08:05:33 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 321 , to selected 1114

more work in dynamicProps

Revision 321 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:25:22 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 320 , to selected 1114

adding dynamicProps

Revision 320 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:14:59 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 319 , to selected 1114

adding command line option to DynamicProps

Revision 319 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:13:27 2005 UTC (20 years, 9 months ago) by tim
Diff to previous 318 , to selected 1114

adding command line option for DynamicProps

Revision 318 - Directory Listing - [select for diffs]
Added Sun Feb 13 06:57:48 2005 UTC (20 years, 9 months ago) by tim
Diff to selected 1114

adding dynamicProps

Convenience Links