Revision 1874 - (view) (annotate) - [select for diffs]
Modified Wed May 15 15:09:35 2013 UTC (13 years ago) by gezelter
File length: 33092 byte(s)
Diff to previous 1850

Fixed a bunch of cppcheck warnings.

Fixed a widespread typo in the license 

Revision 1825 - (view) (annotate) - [select for diffs]
Modified Wed Jan 9 19:27:52 2013 UTC (13 years, 4 months ago) by gezelter
File length: 33073 byte(s)
Diff to previous 1824

Deleting unused variables

Fixed some picky warnings from the new Intel compiler.

Revision 1767 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (13 years, 10 months ago) by gezelter
File length: 33068 byte(s)
Diff to previous 1718

Various fixes required to compile OpenMD with the MS Visual C++ compiler

Adding fluctuating charges, still a work in progress

Revision 1715 - (view) (annotate) - [select for diffs]
Modified Tue May 22 21:55:31 2012 UTC (13 years, 11 months ago) by gezelter
File length: 33053 byte(s)
Diff to previous 1665

Adding more support structure for Fluctuating Charges.

updated copyright notices

Revision 1613 - (view) (annotate) - [select for diffs]
Modified Thu Aug 18 20:18:19 2011 UTC (14 years, 9 months ago) by gezelter
File length: 32918 byte(s)
Diff to previous 1601

Fixed a parallel bug in computing exclude lists.
Added file versioning information in MD files.
Still tracking down cutoff group bugs.

removed spurious prints, fixed one bug, but there's still a parallel problem

Revision 1600 - (view) (annotate) - [select for diffs]
Modified Wed Aug 3 20:20:37 2011 UTC (14 years, 9 months ago) by gezelter
File length: 32990 byte(s)
Diff to previous 1465

Completing the Fortran removal project.  Fixes for compilation with
clang / llvm, debugging, removing code that we'd never used.

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (16 years ago) by gezelter
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 32324 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 1277 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years, 10 months ago) by gezelter
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 32252 byte(s)
Diff to previous 1275

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

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

Revision 1171 - (view) (annotate) - [select for diffs]
Modified Fri Jul 13 18:10:52 2007 UTC (18 years, 10 months ago) by gezelter
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 25447 byte(s)
Diff to previous 845

Just some formatting fixes

instead of printing to std::cout, throwing an exception when error is found.

Revision 844 - (view) (annotate) - [select for diffs]
Modified Wed Jan 11 18:41:01 2006 UTC (20 years, 4 months ago) by gezelter
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 21928 byte(s)
Diff to previous 816

Fixed a spelling error

the standard library came with SUN compiler does not have a conforming std::use_facet, define a macro
to handle it. Adding exception handling to SimCreator.

Revision 808 - (view) (annotate) - [select for diffs]
Modified Sat Dec 10 16:54:40 2005 UTC (20 years, 5 months ago) by tim
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 21544 byte(s)
Diff to previous 794

fixed compilation problem for icc7

Fixed a bug in checkTorsion

Revision 786 - (view) (annotate) - [select for diffs]
Modified Mon Dec 5 19:10:58 2005 UTC (20 years, 5 months ago) by tim
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 22398 byte(s)
Diff to previous 784

reformat error message

adding more checking for topology

Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (20 years, 5 months ago) by tim
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 12467 byte(s)
Diff to previous 507

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

xemacs has been drafted to perform our indentation services

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (21 years, 4 months ago) by gezelter
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 16013 byte(s)
Diff to previous 3

merging new_design branch into OOPSE-2.0

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 7 months ago) by gezelter
Original Path: trunk/src/types/MoleculeStamp.cpp
File length: 13903 byte(s)

Import of OOPSE v. 2.0