[ViewVC] Log of: OpenMD/trunk/src/applications/staticProps/StaticProps.cpp

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: 13575 byte(s)
Diff to previous 1879 , to selected 1267

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

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: 13568 byte(s)
Diff to previous 1846 , to selected 1267

MERGE OpenMD development 1783:1878 into trunk

Revision 1846 - (view) (annotate) - [select for diffs]
Modified Thu Jan 31 15:55:47 2013 UTC (12 years, 3 months ago) by gezelter
File length: 13287 byte(s)
Diff to previous 1819 , to selected 1267

Bug fix in Tetrahedrality parameter Z exposed another bug in SimInfo.

Revision 1819 - (view) (annotate) - [select for diffs]
Modified Thu Dec 13 16:57:39 2012 UTC (12 years, 4 months ago) by gezelter
File length: 13830 byte(s)
Diff to previous 1785 , to selected 1267

Added a selection offset for P2 Order parameters

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Modified Wed Aug 22 18:43:27 2012 UTC (12 years, 8 months ago) by jmichalk
File length: 13729 byte(s)
Diff to previous 1782 , to selected 1267

Trunk: The changes in this commit are confined to applications/staticProps and for the most part deal with a misspelling of initialize.

The one other change took place in StaticProps.cpp and deals with the default treatment of sele2. It had previously been set to 'select all' which seems to go against what would be desired by not specifying it with regard to proper operations of many of the analysis programs ( g of r's especially)

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: 13495 byte(s)
Diff to previous 1585 , to selected 1267

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1585 - (view) (annotate) - [select for diffs]
Modified Sun Jun 19 17:51:15 2011 UTC (13 years, 10 months ago) by gezelter
File length: 13123 byte(s)
Diff to previous 1542 , to selected 1267

Added a module to compute the length of a nanorod

Revision 1542 - (view) (annotate) - [select for diffs]
Modified Thu Mar 3 20:32:49 2011 UTC (14 years, 2 months ago) by gezelter
File length: 12972 byte(s)
Diff to previous 1522 , to selected 1267

Adding vector handling capability to P2 order parameter

Revision 1522 - (view) (annotate) - [select for diffs]
Modified Fri Nov 19 20:26:36 2010 UTC (14 years, 5 months ago) by kstocke1
File length: 12571 byte(s)
Diff to previous 1513 , to selected 1267

new hotness

Revision 1513 - (view) (annotate) - [select for diffs]
Modified Tue Oct 19 18:40:54 2010 UTC (14 years, 6 months ago) by gezelter
File length: 12230 byte(s)
Diff to previous 1454 , to selected 1267

Adding an object count option to staticProps

Revision 1454 - (view) (annotate) - [select for diffs]
Modified Wed Jun 23 19:25:02 2010 UTC (14 years, 10 months ago) by gezelter
File length: 11548 byte(s)
Diff to previous 1445 , to selected 1267

Adding 2-D g(r) module to static props

Revision 1445 - (view) (annotate) - [select for diffs]
Modified Tue Jun 8 20:26:50 2010 UTC (14 years, 10 months ago) by chuckv
File length: 11047 byte(s)
Diff to previous 1442 , to selected 1267

Changes to gofrz so you can specify the z length

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: 11353 byte(s)
Diff to previous 1440 , to selected 1267

Adding property set to svn entries

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Modified Thu Apr 29 14:41:48 2010 UTC (15 years ago) by gezelter
File length: 11353 byte(s)
Diff to previous 1413 , to selected 1267

Adding a new correlation function to do slab-segregated g(r)
calculations.  This computes at g(r) for pairs while requiring the z
coordinates of the two sites to be at fixed separations.  The data
is output in:  r, z, g(r,z)

Revision 1413 - (view) (annotate) - [select for diffs]
Modified Mon Mar 22 19:21:22 2010 UTC (15 years, 1 month ago) by gezelter
File length: 11127 byte(s)
Diff to previous 1390 , to selected 1267

Adding a progress bar, and pAngle staticProps

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: 10965 byte(s)
Diff to previous 1267

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

Revision 1267 - (view) (annotate) - [selected]
Modified Mon Jun 30 17:53:42 2008 UTC (16 years, 10 months ago) by gpuliti
File length: 10918 byte(s)
Diff to previous 1222

Fixed a number of bugs in slab_density calculation

Revision 1222 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 22:01:34 2008 UTC (17 years, 3 months ago) by gezelter
File length: 11012 byte(s)
Diff to previous 1213 , to selected 1267

Correcting a few typos

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Modified Wed Jan 23 21:21:50 2008 UTC (17 years, 3 months ago) by xsun
File length: 11020 byte(s)
Diff to previous 1180 , to selected 1267

fixed a few correlation functions

Revision 1180 - (view) (annotate) - [select for diffs]
Modified Mon Sep 17 20:05:51 2007 UTC (17 years, 7 months ago) by chuckv
File length: 10819 byte(s)
Diff to previous 1128 , to selected 1267

Added code to compute bond angle distributions.

Revision 1128 - (view) (annotate) - [select for diffs]
Modified Wed Apr 11 23:27:20 2007 UTC (18 years ago) by chuckv
File length: 10186 byte(s)
Diff to previous 1091 , to selected 1267

Added Bond Order Parameter as a function of radius.

Revision 1091 - (view) (annotate) - [select for diffs]
Modified Fri Nov 10 18:45:29 2006 UTC (18 years, 5 months ago) by chuckv
File length: 9725 byte(s)
Diff to previous 1052 , to selected 1267

Added support for nanoparticle density profile.

Revision 1052 - (view) (annotate) - [select for diffs]
Modified Tue Sep 26 01:30:32 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9285 byte(s)
Diff to previous 1051 , to selected 1267

Mostly done with BondOrderParameter.  Only a few performance tweaks
remain

Revision 1051 - (view) (annotate) - [select for diffs]
Modified Mon Sep 25 22:08:33 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9400 byte(s)
Diff to previous 1041 , to selected 1267

fixing bond order parameter code

Revision 1041 - (view) (annotate) - [select for diffs]
Modified Wed Sep 20 20:13:40 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9346 byte(s)
Diff to previous 1039 , to selected 1267

fixed bugs (mostly in BondOrderParameter)

Revision 1039 - (view) (annotate) - [select for diffs]
Modified Tue Sep 19 21:14:11 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9092 byte(s)
Diff to previous 1026 , to selected 1267

Working on BondOrderParameter

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: 8100 byte(s)
Diff to previous 980 , to selected 1267

Changing utility programs to use the new file format

Revision 980 - (view) (annotate) - [select for diffs]
Modified Thu Jun 1 18:06:33 2006 UTC (18 years, 11 months ago) by xsun
File length: 8183 byte(s)
Diff to previous 963 , to selected 1267

Add the RippleOP to calculate the orderparameter of the ripples.

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: 8034 byte(s)
Diff to previous 957 , to selected 1267

Adding single precision capabilities to c++ side

Revision 957 - (view) (annotate) - [select for diffs]
Modified Tue May 16 20:38:23 2006 UTC (18 years, 11 months ago) by gezelter
File length: 8032 byte(s)
Diff to previous 956 , to selected 1267

Autoconf fixes for FFTW.  Multiple FFTW version support.

Revision 956 - (view) (annotate) - [select for diffs]
Modified Tue May 16 02:06:37 2006 UTC (18 years, 11 months ago) by gezelter
File length: 7930 byte(s)
Diff to previous 955 , to selected 1267

*** empty log message ***

Revision 955 - (view) (annotate) - [select for diffs]
Modified Fri May 12 21:34:43 2006 UTC (18 years, 11 months ago) by xsun
File length: 7870 byte(s)
Diff to previous 840 , to selected 1267

Changes to calculate undulation spectrum

Revision 840 - (view) (annotate) - [select for diffs]
Modified Mon Jan 9 22:14:32 2006 UTC (19 years, 3 months ago) by tim
File length: 7670 byte(s)
Diff to previous 558 , to selected 1267

fixing RhoZ

Revision 558 - (view) (annotate) - [select for diffs]
Modified Mon Jun 13 18:25:30 2005 UTC (19 years, 10 months ago) by tim
File length: 7377 byte(s)
Diff to previous 545 , to selected 1267

working version of DensityPlot

Revision 545 - (view) (annotate) - [select for diffs]
Modified Fri May 27 21:11:24 2005 UTC (19 years, 11 months ago) by tim
File length: 7299 byte(s)
Diff to previous 544 , to selected 1267

adding DensityPlot into StaticProps

Revision 544 - (view) (annotate) - [select for diffs]
Modified Fri May 27 04:41:34 2005 UTC (19 years, 11 months ago) by tim
File length: 7036 byte(s)
Diff to previous 543 , to selected 1267

adding SCDOrderParameter into StaticProps

Revision 543 - (view) (annotate) - [select for diffs]
Modified Thu May 26 22:45:00 2005 UTC (19 years, 11 months ago) by tim
File length: 5637 byte(s)
Diff to previous 507 , to selected 1267

adding AtomNameVisitor to convert atom name to its base name; wrappingvisitor
now wrap back to the center of the mass; adding P2OrderParameter into StaticProps

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 5366 byte(s)
Diff to previous 369 , to selected 1267

xemacs has been drafted to perform our indentation services

Revision 369 - (view) (annotate) - [select for diffs]
Modified Fri Feb 18 23:07:32 2005 UTC (20 years, 2 months ago) by tim
File length: 5627 byte(s)
Diff to previous 354 , to selected 1267

adding LipidTransVisitor, GofXyz is working now

Revision 354 - (view) (annotate) - [select for diffs]
Modified Wed Feb 16 20:30:50 2005 UTC (20 years, 2 months ago) by tim
File length: 5333 byte(s)
Diff to previous 336 , to selected 1267

change the default bin number

Revision 336 - (view) (annotate) - [select for diffs]
Modified Mon Feb 14 18:51:48 2005 UTC (20 years, 2 months ago) by tim
File length: 5908 byte(s)
Diff to previous 326 , to selected 1267

default length for staticProps is 1/2 smallest length of first frame

Revision 326 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 2 months ago) by tim
File length: 5859 byte(s)
Diff to previous 311 , to selected 1267

maximum length defaults to the cutoff radius

Revision 311 - (view) (annotate) - [select for diffs]
Modified Thu Feb 10 22:37:21 2005 UTC (20 years, 2 months ago) by tim
File length: 5899 byte(s)
Diff to previous 310 , to selected 1267

more work in StaticProps

Revision 310 - (view) (annotate) - [select for diffs]
Added Thu Feb 10 18:14:03 2005 UTC (20 years, 2 months ago) by tim
File length: 3380 byte(s)
Diff to selected 1267

change the filenames

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