Revision 1895 - (view) (annotate) - [select for diffs]
Modified Mon Jul 1 21:09:37 2013 UTC (11 years, 10 months ago) by gezelter
File length: 36997 byte(s)
Diff to previous 1893

Speed!

Some performance improvements

Revision 1880 - (view) (annotate) - [select for diffs]
Modified Mon Jun 17 18:28:30 2013 UTC (11 years, 10 months ago) by gezelter
File length: 36930 byte(s)
Diff to previous 1879

Preparing for official 2.1 release (clean-up)

MERGE OpenMD development 1783:1878 into trunk

Revision 1809 - (view) (annotate) - [select for diffs]
Modified Mon Nov 5 19:41:28 2012 UTC (12 years, 5 months ago) by gezelter
File length: 34805 byte(s)
Diff to previous 1788

Odd bug for parallel simulations - when single-atom groups are row and column
indexed, the self-self interaction was correctly eliminated in the force
calculation, but not in the stress tensor calculation.

Fixed a bug in ForceManager and a compilation issue for cygwin

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: 34488 byte(s)
Diff to previous 1610

MERGE OpenMD development branch 1465:1781 into trunk

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

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
File length: 12586 byte(s)
Diff to previous 1448

removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers

mostly whitespace issues

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: 13023 byte(s)
Diff to previous 1390

Adding property set to svn entries

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

Revision 1292 - (view) (annotate) - [select for diffs]
Modified Fri Sep 12 20:51:22 2008 UTC (16 years, 7 months ago) by chuckv
File length: 12979 byte(s)
Diff to previous 1275

fixed thermo bug

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 1245 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (16 years, 11 months ago) by chuckv
File length: 11528 byte(s)
Diff to previous 1215

Checking in changes for Hefland moment calculations

fixed printing of memory available

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File length: 11269 byte(s)
Diff to previous 998

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

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: 12588 byte(s)
Diff to previous 776

Adding single precision capabilities to c++ side

Got rid of spurious printing out of junk

Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 12619 byte(s)
Diff to previous 749

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

OptionSectionParser get compiled

Revision 691 - (view) (annotate) - [select for diffs]
Modified Wed Oct 19 19:24:40 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 8754 byte(s)
Diff to previous 688

Still had some globals toUpper problems - these changes should fix those...

fix an index mismathcing between c and fortran

Revision 681 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 6 months ago) by tim
File length: 8752 byte(s)
Diff to previous 665

Customized StatWriter is working

rewrite Globals

Revision 664 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 21:57:16 2005 UTC (19 years, 6 months ago) by chuckv
File length: 7794 byte(s)
Diff to previous 645

Fix to forceManager to pass potential array to fortran.

fixed an annoying mass ratio bug that results in simulation failure with massless particles

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 7435 byte(s)
Diff to previous 246

xemacs has been drafted to perform our indentation services

merging new_design branch into OOPSE-2.0