Bug fixes for GB.  Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)].  This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in.  This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S), 
and end-to-end (E) configurations.

Adding repulsive power potential

Updated the BlockSnapshotManager to use a specified memory footprint
in constructor and not to rely on physmem and residentMem to figure
out free memory. DynamicProps is the only program that uses the
BlockSnapshotManager, so substantial changes were needed there as
well.

fixed an initialization bug in eam

fixed a bug on torques for MPI jobs involving directional atoms

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++

Fixed odd bug in electrostatic for self-term forces with neutral molecules

General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function

Added large quantities of code for convex hull and constant pressure langevin dynamics.

Added support for scaled 1-2, 1-3 and 1-4 interactions.

fixed a strange compiler structure alignment problem with the
intel Mac compiler  (structs that cross between C and fortran
appear to need 8-byte boundary alignment on this compiler).

Adding infrastructure for Amber force field.

Removed accidental print lines.

Checking in changes for Hefland moment calculations

Changing functional form

MnM interaction now works.

Changes to simparalell to remove MPI stuff.

added a check for non-initialized MnM_map

More bug fixes to Metalnonmetal.

Added more Morse and Lennard-Jones part of metal-nonmetal.

One more to add.

Added c-fortran interaction map.

Bug fix to types.

Changes to allow for non-bonded interactions.

SF Lennard-Jones was added for everyones' enjoyment.  The behavior is tethered to the electrostaticSummationMethod keyword.

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...

Fixed a bug in NeighborListNeighbors.

Added interface to change number of neighbors in calculating neighbor list.

refined the reaction field dielectric passing

fixed an ordering issue in quadrupole-charge interactions

fixed d / sigma0 confusion

Added the multipole interaction routine.  It doesn't work yet, so it's not included in the build.

fixed forces and torques for GB

damping now works for charge-quadrupole and dipole-dipole

testing GB, removing CM drift in Langevin Dynamics, fixing a memory
leak, adding a visitor

Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).

Adding single precision capabilities to the fortran side

electrostatic refinement

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.

splined up sticky

Many performance improvements

Added interpolation module.

Fixed memory leak bug where SCList capacity was not reset to zero on destruction.

unifying function name in electrostatics

autoconf modernization and cruft removal

Sutton-Chen no longer segfaults or produces 0 potential, but rather
produces Inf for the potential. Progress....

Sutton-Chen bug fixes. Almost there...

Force option changes.

made some minor changes to allow compilation with the portland group
compilers

Removed geometric distance mixing from individual modules and now use
force options to detemine what the deal is.

Added support for fortran force options.

included shifted potential self term

cleaned up the charge-charge interactions a bit...

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.

added in a 5th order polynomial switching function

removed a poorly commented section

More work on SC.

removed some test code

changing how we deal with summation and screening methods

removed some testing code...

In process of adding sutton-chen forcefield.

added charge-dipole reaction field - don't know if it works...

Still had some globals toUpper problems - these changes should fix those...

fix an index mismathcing between c and fortran

merged reaction field with electrostatics.F90

bugtracking gb

Add parts for the GayBerne LJ

More Change goodness for calculation of potential.

maybe some work on wolf

Added define for ifc 7 so derfc is external. Other compilers should treat erfc as intrinsic.

MPI fix for SimHasAtype in simulation module. We needed a seperate receive buffer.

Bug fix: If we are not using LJ (say we are using EAM), we probably shouldn't rebuild the LJ mixing map.

Fixed bugs in reaction field, now it appears as though it really is working...

fixing some summation method issues

it builds now, but there are known issues - particularly with reaction field...

Working on adding WOLF

EAM now uses eamlist to lookup eamAtypes instead of assuming a 1-1 correspondence to atypes.

Added access to mpi logical variables

updated getEAMCut

Added eamType map to atid map.

Complete rewrite of Lennard Jones module

Added subroutine to set cuttoff for Interaction map and function in simulation.F90 to determine if a particular atype is present in a simulation.

Removed balance from the Darkside (files)

just some tap changes

Modifications to tap.  Also correcting changes to the previous merge that were not caught

Couple of changes for TAP water.  Need to parametrize.

Got rid of write statements and am closer to a working shapes

xemacs has been drafted to perform our indentation services

Added destroy methods for Fortran modules.

cleaned up memory leak fix

Changes to delete atypes...

added some stuff to clean out module files during "make clean"

Altered signs to fix charge-dipole interactions

constant back to correct value

first run at charge-quadrupole interactions

settled on a unit for quadrupoles

new electrostatic module

adding soft potential to LJ Module

moved Package variable into subdirectory makefiles to speed up
the building process

separating modules and C/Fortran interface subroutines

Fixed a mixing list bug that slowed down the force loop

Breaky Breaky

still debugging

Changes to help advance shapes

Added un-busticated fortran files and c/Fortran interfaces

Added newLJtype to lj module.

fixed a fortran name problem

Fortran/C++ interface de-obfuscation project (It is a very long story)

name sanity on the fortran side

Added new files for fortran interface.

move mpiSimulation_module to DarkSide

define DEV_ROOT as relative path

move fortran files around to solve dependency problem

Import of OOPSE v. 2.0