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
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.
Changes for implementing Amber force field: Added Inversions and worked on BaseAtomTypes so that they'd function with the fortran side.
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
more changes for atomic virials and Lennard-Jones force switching
Massive update to do virials (both atomic and cutoff-group) correctly. The rigid body constraint contributions had been missing and this was masked by the use of cutoff groups...
Getting fortran side prepped for single precision...
Adding spherical boundary conditions to LD integrator
Removed sqrt splines and shape stuff (doesn't work, so why was it in there?). Changed some of the water samples to use shifted_force. Probably should set the defaults to use the damped version now that we sped it up.
Complete rewrite of spline code and everything that uses it.
Many performance improvements
Removed geometric distance mixing from individual modules and now use force options to detemine what the deal is.
Cutoff mixing fixes have been made.
simplifying long range potential array
Breaky Breaky: Add Support for seperating potential contributions.
Bug fix: If we are not using LJ (say we are using EAM), we probably shouldn't rebuild the LJ mixing map.
Fixed a defaultCutoff bug (HEMES!)
fixed a bug in the createMixingMap routine. It should now set doShift correctly
Complete rewrite of Lennard Jones module
fix bug in NPAT and NPrT
xemacs has been drafted to perform our indentation services
Added destroy methods for Fortran modules.
electrostatic unification project fixed an uninitialized variable in Lennard Jones mixing map
adding soft potential to LJ Module
separating modules and C/Fortran interface subroutines
merging new_design branch into OOPSE-2.0
Fixed a mixing list bug that slowed down the force loop
Added un-busticated fortran files and c/Fortran interfaces
Breaky Breaky. Fixey Fixey.
Added newLJtype to lj module.
name sanity on the fortran side
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