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: 7937 byte(s)
Diff to previous 1953 , to selected 1213

Added Frequency Fluctuation Correlation Function

Rewrote much of selection module, added a bond correlation function

Revision 1937 - (view) (annotate) - [select for diffs]
Modified Tue Oct 29 16:02:58 2013 UTC (11 years, 6 months ago) by gezelter
File length: 7590 byte(s)
Diff to previous 1934 , to selected 1213

Fixed a few bugs and added some sanity checks in the analysis codes.

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: 6897 byte(s)
Diff to previous 1879 , to selected 1213

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

MERGE OpenMD development 1783:1878 into trunk

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: 6399 byte(s)
Diff to previous 1782 , to selected 1213

Adding the selection correlation function, fixing a sample directory

MERGE OpenMD development branch 1465:1781 into trunk

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: 6237 byte(s)
Diff to previous 1604 , to selected 1213

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

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: 5876 byte(s)
Diff to previous 1566 , to selected 1213

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.

Updated some bugs so dynamic props builds again. Stress Corr func is still a work in progress.

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: 5446 byte(s)
Diff to previous 1442 , to selected 1213

Added files for stress correlation funcion.

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
File length: 5278 byte(s)
Diff to previous 1245 , to selected 1213

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

Checking in changes for Hefland moment calculations

Revision 1213 - (view) (annotate) - [selected]
Modified Wed Jan 23 21:21:50 2008 UTC (17 years, 3 months ago) by xsun
File length: 5068 byte(s)
Diff to previous 1183

fixed a few correlation functions

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: 4892 byte(s)
Diff to previous 1098 , to selected 1213

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

Code to run radial rcorr.

Revision 1026 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 21:04:04 2006 UTC (18 years, 8 months ago) by gezelter
File length: 4560 byte(s)
Diff to previous 917 , to selected 1213

Changing utility programs to use the new file format

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: 4786 byte(s)
Diff to previous 876 , to selected 1213

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.

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: 4183 byte(s)
Diff to previous 333 , to selected 1213

xemacs has been drafted to perform our indentation services

refactory CorrelationFunction

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: 4357 byte(s)
Diff to previous 321 , to selected 1213

dynamicProps get built

adding dynamicProps