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2011-02-18
A new version of XMD, version 2.5.38, is available for download here.
A much faster neighbor list algorithm has been added to XMD and made the default.
Here is a graph showing the difference in execution time.
NSEARCH SORTNote the the old SORT algorithm is better when
2010-03-14 Version 2.5.35 of XMD is available for download here. It fixes a small bug that occurs when input files created on Windows are used by XMD on Unix and when at the same time the commands REPEAT ... END are used. Also, several previously undocumentated options have been added; these are the WRITE command options AVG, MIN, MAX and NOHEAD, and the "PLOT SYMBOL" option FILLALL. 2009-12-05 There's a new version of msd. This version corrects a bug that causes msd to fail when reading COR files. 2009-04-25 There's a new version of strain. This version corrects a few bugs that arose when calculating the strain for a system with repeating boundary conditions. 2007-10-07 I have posted a new program, strain, which calculates the strain of an atom. Please see this for more information. 2005-01-07 Another bug in xmd-2.5.34.tar.gz when compiling using GCC under AIX5.2. The fixed package is called xmd-2.5.34-1.tar.gz. Please obtain from download page. 2004-01-06 If you downloaded xmd-2.5.34.tar.gz in the past three days you have gotten a broken copy which doesn't compile correctly (the ./configure step fails). Please re-download xmd-2.5.34.tar.gz and re-install. 2004-01-04 XMD moved to SourceForge. See new version xmd-2.5.34 under Download. The changes since the previously released version (xmd-2.5.32) are Version 2.5.34 Nov 18, 2004 (1) Compile using standard ./compile and make instead of old method. (2) Add new and as yet undocumented command NSEARCH with options SORT, CELL, CELL2 to select neighbor search algorithm. The choices are "SORT", the original neighbor search algorithm (the default), "CELL", a new faster cell based algorithm, and "CELL2", an alternate faster cell algorithm from David Read. Version 2.5.33 Mar 18, 2004 (1) Fix documentation of the SELECT NEAR command. (2) Add 'SELECT NEAR RADIUS r1 r2' option to SELECT NEAR (see manual for details). (3) Add CONTENTS file. (4) Update various README* files. |