Fixed a few bugs and added some sanity checks in the analysis codes.
Started fixing some samples for OpenMD 2.0 release
Parallel fixes for selection syntax (e.g. DistanceFinder).
MERGE OpenMD development branch 1465:1781 into trunk
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
Fixes for Torsions and Inversions, Amber is mostly working now.
Fixed Makefile problems with the samples and added several missing makefiles.
fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1
fixed a few bugs
Fixing the builders to prepare for OOPSE-4 release
converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration
Massive changes preparing for release of OOPSE-4: The main difference is that the new MD file format (.md, .dump, .eor) now contains meta-data information along with the configuration information.
splined up sticky
Many performance improvements
added a cubic spline to switcheroo
remove deprecated keywords from samples
just playing around - we need to refresh all the samples sometime soon...
playing with switching functions
Equilibrated the sample
Just a longer test
remove argon.dump and argon.eor from Makefile
Remove some Makefile.in
add Makefile to sample directory
Import of OOPSE v. 2.0