[ViewVC] Log of: OpenMD/trunk/samples/Madelung

Revision 1967 - Directory Listing - [select for diffs]
Modified Wed Jan 29 20:26:00 2014 UTC (11 years, 4 months ago) by gezelter
Diff to previous 1961

Added warmed minimum lattice

Revision 1961 - Directory Listing - [select for diffs]
Modified Mon Dec 30 15:35:03 2013 UTC (11 years, 5 months ago) by gezelter
Diff to previous 1960

Moving these data files out to the manuscript directory

Revision 1960 - Directory Listing - [select for diffs]
Modified Mon Dec 30 10:29:37 2013 UTC (11 years, 5 months ago) by mlamichh
Diff to previous 1937

Revision 1937 - Directory Listing - [select for diffs]
Modified Tue Oct 29 16:02:58 2013 UTC (11 years, 7 months ago) by gezelter
Diff to previous 1928

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

Revision 1928 - Directory Listing - [select for diffs]
Modified Sat Aug 17 13:03:17 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1921

Fixed a few bugs in EAM and Electrostatic.

Revision 1921 - Directory Listing - [select for diffs]
Modified Thu Aug 1 18:23:07 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1918

Fixed a few DumpWriter / FlucQ bugs.  Still working on Ewald, updated 
Quadrupolar test structures.

Revision 1918 - Directory Listing - [select for diffs]
Modified Wed Jul 31 15:43:17 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1917

Added a fieldValues script, updated some text in the README file

Revision 1917 - Directory Listing - [select for diffs]
Modified Wed Jul 31 12:58:35 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1916

Fixed all of the dipolar arrays to match the L&T indexing scheme

Revision 1916 - Directory Listing - [select for diffs]
Modified Tue Jul 30 16:57:49 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1914

Adding Quadrupolar arrays

Revision 1914 - Directory Listing - [select for diffs]
Modified Mon Jul 29 15:34:04 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1912

Fixed a quaternion bug, updated the affected lattices.

Revision 1912 - Directory Listing - [select for diffs]
Modified Tue Jul 23 15:50:51 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1911

Fixed a readme file, attempting to find the minimum energy BCC structure.

Revision 1911 - Directory Listing - [select for diffs]
Modified Tue Jul 23 01:58:19 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1910

modified svn propset info

Revision 1910 - Directory Listing - [select for diffs]
Modified Mon Jul 22 21:34:02 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1909

Used larger samples

Revision 1909 - Directory Listing - [select for diffs]
Modified Mon Jul 22 18:08:16 2013 UTC (11 years, 10 months ago) by gezelter
Diff to previous 1907

Updating samples.

Revision 1907 - Directory Listing - [select for diffs]
Modified Fri Jul 19 18:18:27 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1905

Fixed self energies for the Taylor_shifted method

Revision 1905 - Directory Listing - [select for diffs]
Modified Wed Jul 17 20:39:58 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1903

fixing Luttinger Tisza stuff for Madan, fixing Inversions and wild Cards for James

Revision 1903 - Directory Listing - [select for diffs]
Modified Tue Jul 16 18:58:08 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1900

Test to see if we can eliminate a bug in MPI runs involving RNEMD.

Revision 1900 - Directory Listing - [select for diffs]
Modified Fri Jul 12 17:38:06 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1899

Added self-interaction for shifted multipoles

Revision 1899 - Directory Listing - [select for diffs]
Modified Fri Jul 12 17:37:27 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1898

Added the Z basic arrays

Revision 1898 - Directory Listing - [select for diffs]
Modified Mon Jul 8 21:09:21 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1889

More work on the Luttinger & Tisza structure generator

Revision 1889 - Directory Listing - [select for diffs]
Modified Tue Jun 18 17:54:20 2013 UTC (12 years ago) by gezelter
Diff to previous 1879

Working on madelung energy module for multipoles

Revision 1879 - Directory Listing - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (12 years ago) by gezelter
Diff to previous 1805

MERGE OpenMD development 1783:1878 into trunk

Revision 1805 - Directory Listing - [select for diffs]
Modified Wed Oct 17 19:05:12 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1782

Started fixing some samples for OpenMD 2.0 release

Revision 1782 - Directory Listing - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 9 months ago) by gezelter
Diff to previous 1405

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1405 - Directory Listing - [select for diffs]
Modified Tue Jan 19 22:33:57 2010 UTC (15 years, 5 months ago) by gezelter
Diff to previous 1390

Fixing the build and install method for samples in Madelung, RNEMD,
zeolite, SMIPD

Revision 1390 - Directory Listing - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 6 months ago) by gezelter
Diff to previous 1342

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

Revision 1342 - Directory Listing - [select for diffs]
Added Fri May 8 20:47:18 2009 UTC (16 years, 1 month ago) by gezelter

Adding Madelung energy sample directory with explanatory notes

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