initialized atomTypeMaxCutoff(i) to zero
wrote createGtypeCutoffMap
made some changes for implementing the wolf potential
added some probably nonfunctional get*cut routines
fixing some of the problems in the interactionHash and gtypeCutoff routines
added fCutoffPolicy.h
breakage in progress
Breaky Breaky BREAKY breaky breaky
In process of re-write for group based cutoff....
fixes in progress
fix a bug which does not update me_i and me_j correctly
Changed cutoffs... Segfaults nicely now...
Added subroutine to set cuttoff for Interaction map and function in simulation.F90 to determine if a particular atype is present in a simulation.
*** empty log message ***
More breaking and destruction of force code. Does not build at this point...
Breaky breaky!
Removed balance from doForces
Modifications to temper the dipolar strength in the first solvation shell for tap
Modifications to tap. Also correcting changes to the previous merge that were not caught
added gb
OOPSE setup for TAP water. It's not parametrized, but OOPSE will now let me run it...
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
Make sure electrostatic_module provides data for reaction_field
electrostatic unification project
separating modules and C/Fortran interface subroutines
merging new_design branch into OOPSE-2.0
Got rid of some write statements
fixed useXXX in the entry_plug so that it only is set if the atoms really are in the simulation
shapes rcut calculator added
forcefield refactoring for shapes
fixey fixey the breakey breakey
fixey fixey
Breaky Breaky. Fixey Fixey.
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