Adding experimental branch for calculation of the heatflux based on old version of OpenMD. This will need to be ported to the development branch later.
Added svn revision number to build process, incremented minor version number, corrected a minimizer keyword
removing spurious cutoffGroup lines from default water.md sample files
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
Added large quantities of code for convex hull and constant pressure langevin dynamics.
Code work on thiols and TraPPE torsions.
Removed accidental print lines.
Added model for thiols.
Added minimizer sample for metal.
Changes....
Added surfaces for Ni and Pd.
Added more surfaces.
Added samples for metal slabs.
Fixed Makefile problems with the samples and added several missing makefiles.
converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration
Complete rewrite of spline code and everything that uses it.
Many performance improvements
Changes in Sutton-Chen units
fix make install problem for metals samples
Sutton and Chen should be working now.
Added energy scaling to section parsers.
More Sutton-Chen bug fixes.
Sutton-Chen bug fixes. Almost there...
added files for sutton-chen
More cvs changing.
More moving...
More changes to directory structure.
More Directory changes...
More changing of directory structure
remove deprecated keywords from samples
Remove some Makefile.in
add Makefile to sample directory
Import of OOPSE v. 2.0