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

Revision 2024 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 19:13:51 2014 UTC (10 years, 6 months ago) by gezelter
File length: 11731 byte(s)
Diff to previous 2003

Added Radial and Z-projected velocity autocorrelation functions
Started to add SequentialProps program
Mucking about with angular restraint potentials

Revision 2003 - (view) (annotate) - [select for diffs]
Modified Sun Jun 1 19:28:44 2014 UTC (10 years, 11 months ago) by gezelter
File length: 11373 byte(s)
Diff to previous 1953

Added Frequency Fluctuation Correlation Function

Revision 1953 - (view) (annotate) - [select for diffs]
Modified Thu Dec 5 18:19:26 2013 UTC (11 years, 4 months ago) by gezelter
File length: 11179 byte(s)
Diff to previous 1934

Rewrote much of selection module, added a bond correlation function

Revision 1934 - (view) (annotate) - [select for diffs]
Modified Mon Aug 26 14:15:09 2013 UTC (11 years, 8 months ago) by gezelter
File length: 11004 byte(s)
Diff to previous 1915

Added OH bond time correlation function

Revision 1915 - (view) (annotate) - [select for diffs]
Modified Mon Jul 29 17:55:17 2013 UTC (11 years, 9 months ago) by gezelter
File length: 10814 byte(s)
Diff to previous 1811

Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ

Revision 1811 - (view) (annotate) - [select for diffs]
Modified Fri Nov 16 15:12:21 2012 UTC (12 years, 5 months ago) by gezelter
File length: 10327 byte(s)
Diff to previous 1615

Adding the selection correlation function, fixing a sample directory

Revision 1615 - (view) (annotate) - [select for diffs]
Modified Fri Aug 26 17:55:44 2011 UTC (13 years, 8 months ago) by gezelter
File length: 10157 byte(s)
Diff to previous 1604

Added Momentum correlation function, imported changes from Vector from
development branch, updated comments in some integrators

Revision 1604 - (view) (annotate) - [select for diffs]
Modified Mon Aug 8 18:53:40 2011 UTC (13 years, 8 months ago) by jmichalk
File length: 9854 byte(s)
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 - (view) (annotate) - [select for diffs]
Modified Mon Jul 25 17:30:53 2011 UTC (13 years, 9 months ago) by gezelter
File length: 9819 byte(s)
Diff to previous 1565

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 1565 - (view) (annotate) - [select for diffs]
Modified Thu May 19 14:28:04 2011 UTC (13 years, 11 months ago) by chuckv
File length: 9290 byte(s)
Diff to previous 1442

Added files for stress correlation funcion.

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: 2852 byte(s)
Diff to previous 1245

Adding property set to svn entries

Revision 1245 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
File length: 2852 byte(s)
Diff to previous 1213

Checking in changes for Hefland moment calculations

Revision 1213 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 21:21:50 2008 UTC (17 years, 3 months ago) by xsun
File length: 4038 byte(s)
Diff to previous 1183

fixed a few correlation functions

Revision 1183 - (view) (annotate) - [select for diffs]
Modified Tue Oct 2 12:05:25 2007 UTC (17 years, 7 months ago) by xsun
File length: 2848 byte(s)
Diff to previous 1112

Added: Action Correlation function (for viscosity), Directional RCorr (for
non-spherical bodies)
Modified: LCorr (for multiple axes)

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: 2823 byte(s)
Diff to previous 1098

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

Revision 1098 - (view) (annotate) - [select for diffs]
Modified Thu Dec 14 19:38:56 2006 UTC (18 years, 4 months ago) by chuckv
File length: 2672 byte(s)
Diff to previous 917

Code to run radial rcorr.

Revision 917 - (view) (annotate) - [select for diffs]
Modified Fri Mar 24 17:29:07 2006 UTC (19 years, 1 month ago) by tim
File length: 1589 byte(s)
Diff to previous 916

back to previous DynamicProps

Revision 916 - (view) (annotate) - [select for diffs]
Modified Fri Mar 24 16:49:09 2006 UTC (19 years, 1 month ago) by tim
File length: 1639 byte(s)
Diff to previous 876

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 876 - (view) (annotate) - [select for diffs]
Modified Mon Jan 30 22:25:27 2006 UTC (19 years, 3 months ago) by tim
File length: 1589 byte(s)
Diff to previous 507

Adding :LegendrePolynomial

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 1471 byte(s)
Diff to previous 320

xemacs has been drafted to perform our indentation services

Revision 320 - (view) (annotate) - [select for diffs]
Added Sun Feb 13 07:14:59 2005 UTC (20 years, 2 months ago) by tim
File length: 1433 byte(s)

adding command line option to DynamicProps

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