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.
removing cruft (atom numbers, do_pot, do_stress) from many modules and force managers
Adding property set to svn entries
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
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++
Added support for scaled 1-2, 1-3 and 1-4 interactions.
Adding single precision capabilities to the fortran side
Getting fortran side prepped for single precision...
simplifying long range potential array
More Change goodness for calculation of potential.
Breaky Breaky: Add Support for seperating potential contributions.
added some probably nonfunctional get*cut routines
Got rid of write statements and am closer to a working shapes
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
xemacs has been drafted to perform our indentation services
Added destroy method to clean up memory
separating modules and C/Fortran interface subroutines
merging new_design branch into OOPSE-2.0
current status of the debugging process
Breaky Breaky
Shapes looks like it's working
still debugging
Changes to help advance shapes
Added un-busticated fortran files and c/Fortran interfaces
name sanity on the fortran side
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.