Fixed a bunch of cppcheck warnings.

Revision 1767 - Directory Listing - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1668

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

Some fixes for CMake and single precision builds

Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (13 years, 7 months ago) by gezelter
Diff to previous 1465

fixing the build system

Creating busticated version of OpenMD

Revision 1442 - Directory Listing - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/applications/atom2md
Diff to previous 1399

Adding property set to svn entries

fixing atom2md and bringing it up to speed with OpenBabel 2.2.3

Revision 1398 - Directory Listing - [select for diffs]
Modified Tue Dec 8 22:17:02 2009 UTC (15 years, 4 months ago) by gezelter
Original Path: trunk/src/applications/atom2md
Diff to previous 1397

Parallel bugfix in RestraintForceManager
Reverted back to hydrodynamics on triangular plates for SMIPDForceManager
Removed thermalLength and thermalConductivity keywords from Globals.
Bug tracking in openmdformat (not yet resolved).

more changes to fix build process and divorce ourselves from CVS

Revision 1396 - Directory Listing - [select for diffs]
Modified Sat Dec 5 02:57:05 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/applications/atom2md
Diff to previous 1390

Merging changes skipped in working copies of OOPSE into the OpenMD
tree, fixing make install

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

Revision 1290 - Directory Listing - [select for diffs]
Modified Wed Sep 10 19:51:45 2008 UTC (16 years, 7 months ago) by cli2
Original Path: trunk/src/applications/atom2md
Diff to previous 1277

Inversion fixes and amber mostly working

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

Revision 1274 - Directory Listing - [select for diffs]
Modified Thu Jul 3 12:45:30 2008 UTC (16 years, 10 months ago) by gezelter
Original Path: trunk/src/applications/atom2md
Diff to previous 1269

Cleaning up oopseformat and adding inversion terms

Adding infrastructure for Amber force field.

Revision 1210 - Directory Listing - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
Original Path: trunk/src/applications/atom2md
Diff to previous 1021

Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

starting change of file formats

Revision 1020 - Directory Listing - [select for diffs]
Added Wed Aug 2 18:06:18 2006 UTC (18 years, 9 months ago) by gezelter
Original Path: trunk/src/applications/atom2md

Changing atom2mdin into atom2md to reflect new unified file format