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

Revision 1785 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 18:43:27 2012 UTC (12 years, 8 months ago) by jmichalk
File length: 13891 byte(s)
Diff to previous 1782

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: 13890 byte(s)
Diff to previous 1610

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1610 - (view) (annotate) - [select for diffs]
Modified Fri Aug 12 14:37:25 2011 UTC (13 years, 8 months ago) by gezelter
File length: 13791 byte(s)
Diff to previous 1442

Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.

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: 13790 byte(s)
Diff to previous 1390

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: 13855 byte(s)
Diff to previous 1100

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

Revision 1100 - (view) (annotate) - [select for diffs]
Modified Wed Dec 20 21:03:11 2006 UTC (18 years, 4 months ago) by gezelter
File length: 13853 byte(s)
Diff to previous 1094

bug fixing Wigner 3-j import to C++

Revision 1094 - (view) (annotate) - [select for diffs]
Modified Tue Nov 21 20:44:54 2006 UTC (18 years, 5 months ago) by gezelter
File length: 13864 byte(s)
Diff to previous 1090

fixes for BOP

Revision 1090 - (view) (annotate) - [select for diffs]
Modified Fri Nov 3 22:02:55 2006 UTC (18 years, 5 months ago) by gezelter
File length: 14167 byte(s)
Diff to previous 1078

possible fix for unnormalized BO

Revision 1078 - (view) (annotate) - [select for diffs]
Modified Wed Oct 18 21:58:48 2006 UTC (18 years, 6 months ago) by gezelter
File length: 14128 byte(s)
Diff to previous 1054

fixing a wrapVector problem in staticProps, also making Shifted force
and electrostatic damping the default behavior

Revision 1054 - (view) (annotate) - [select for diffs]
Modified Tue Sep 26 16:08:44 2006 UTC (18 years, 7 months ago) by gezelter
File length: 14074 byte(s)
Diff to previous 1053

Cleaned up the code for BondOrderParameter and added a bunch of
comments.  Fixed a memory leak or ten.

Revision 1053 - (view) (annotate) - [select for diffs]
Modified Tue Sep 26 14:33:56 2006 UTC (18 years, 7 months ago) by gezelter
File length: 13792 byte(s)
Diff to previous 1052

Some efficiency fixes (now computes Wigner 3-j coefficients only once
in the constructor).

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: 13820 byte(s)
Diff to previous 1051

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: 10926 byte(s)
Diff to previous 1049

fixing bond order parameter code

Revision 1049 - (view) (annotate) - [select for diffs]
Modified Fri Sep 22 01:41:11 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9932 byte(s)
Diff to previous 1048

bug fixes (still broken, however)

Revision 1048 - (view) (annotate) - [select for diffs]
Modified Fri Sep 22 01:36:27 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9933 byte(s)
Diff to previous 1047

Following Rein ten Wolde article

Revision 1047 - (view) (annotate) - [select for diffs]
Modified Thu Sep 21 21:47:17 2006 UTC (18 years, 7 months ago) by gezelter
File length: 8192 byte(s)
Diff to previous 1046

more bug fixes

Revision 1046 - (view) (annotate) - [select for diffs]
Modified Thu Sep 21 20:43:17 2006 UTC (18 years, 7 months ago) by gezelter
File length: 11290 byte(s)
Diff to previous 1044

more changes to BOP and SH

Revision 1044 - (view) (annotate) - [select for diffs]
Modified Thu Sep 21 18:04:52 2006 UTC (18 years, 7 months ago) by gezelter
File length: 11356 byte(s)
Diff to previous 1043

Fixed a bug in Wl code in BondOrderParameter

Revision 1043 - (view) (annotate) - [select for diffs]
Modified Thu Sep 21 14:45:08 2006 UTC (18 years, 7 months ago) by gezelter
File length: 11361 byte(s)
Diff to previous 1042

Bugfixes in BondOrderParameter and SphericalHarmonic

Revision 1042 - (view) (annotate) - [select for diffs]
Modified Wed Sep 20 22:16:23 2006 UTC (18 years, 7 months ago) by gezelter
File length: 11044 byte(s)
Diff to previous 1041

added SphericalHarmonics, fixed a few problems with BondOrderParameter

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: 11019 byte(s)
Diff to previous 1040

fixed bugs (mostly in BondOrderParameter)

Revision 1040 - (view) (annotate) - [select for diffs]
Modified Tue Sep 19 21:20:15 2006 UTC (18 years, 7 months ago) by gezelter
File length: 9407 byte(s)
Diff to previous 1039

Adding BondOrderParameter to StaticProps

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: 9372 byte(s)
Diff to previous 1038

Working on BondOrderParameter

Revision 1038 - (view) (annotate) - [select for diffs]
Modified Mon Sep 18 21:31:23 2006 UTC (18 years, 7 months ago) by chuckv
File length: 7493 byte(s)
Diff to previous 1001

Latest Version

Revision 1001 - (view) (annotate) - [select for diffs]
Modified Fri Jul 7 14:18:36 2006 UTC (18 years, 9 months ago) by chuckv
File length: 8156 byte(s)
Diff to previous 995

Adding more changes to orientational bond order parameter.

Revision 995 - (view) (annotate) - [select for diffs]
Modified Tue Jun 27 16:36:25 2006 UTC (18 years, 10 months ago) by chuckv
File length: 6479 byte(s)
Diff to previous 994

Beginnings of a order parameter.

Revision 994 - (view) (annotate) - [select for diffs]
Added Tue Jun 27 16:19:28 2006 UTC (18 years, 10 months ago) by chuckv
File length: 7110 byte(s)

Adding code for bond orientational parameters.

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