well, it compiles, but still segfaults
Creating busticated version of OpenMD
removing cruft (atom numbers, do_pot, do_stress) from many modules and force managers
mostly whitespace issues
Adding property set to svn entries
Fixed a typo in EAM, cleaned up EAM and sutton chen a bit
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
Removed remaining MPI from metallic potentials. Bug in MPI calculation of energies in Sutton-Chen.
removing MPI responsibilities from the lowest level force routines. This is in preparation for migrating these routines (LJ, electrostatic, eam, suttonchen, gay-berne, sticky) to C++
many changes to keep track of particle potentials for both bonded and non-bonded interactions
fixed a missing F[\rho] error for calculating particle potentials in the many body force fields
Checking in changes for Hefland moment calculations
More bug fixes to Metalnonmetal.
Getting fortran side prepped for single precision...
Complete rewrite of spline code and everything that uses it.
Many performance improvements
Fixed memory leak bug where SCList capacity was not reset to zero on destruction.
Sutton and Chen should be working now.
Sutton-Chen no longer segfaults or produces 0 potential, but rather produces Inf for the potential. Progress....
More Sutton-Chen bug fixes.
Sutton-Chen bug fixes. Almost there...
Removed geometric distance mixing from individual modules and now use force options to detemine what the deal is.
Cutoff mixing fixes have been made.
Made preforce calc public in suttonchen.
Build Fixes for sutton-chen.
Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.
More work on SC.
More work on suttonchen.
Added suppport to atypes for MEAM and sutton-chen
In process of adding sutton-chen forcefield.
This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.