Added suppport to atypes for MEAM and sutton-chen
changing GB architecture
Fixed merge issues between Kyle and Chris so OOPSE will actually build.
added gb
OOPSE setup for TAP water. It's not parametrized, but OOPSE will now let me run it...
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
more memory leak are fixed
fixed a doxygen problem
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
added splitDipole and fixed quadrupole stuff
Electrostatic Unification Project
adding soft potential to LJ Module
(1) complete section parser's error message (2) add GhostTorsion (3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
moved Package variable into subdirectory makefiles to speed up the building process
port to SGI platform
merging new_design branch into OOPSE-2.0
still debugging
fixed duplicate declaration foo
Making ShapeType into a ShapeAtomType, fixing some isXXX
Dear god! It runs and conserves energy!
strDUP not strCOPY
fixey fixey
More on AtomType and DirectionalAtomType
Adding AtomType
Breaky Breaky. Fixey Fixey.
fix some bugs in Quaternion class
Working on getting Shapes into OOPSE
Added ShapeType
define DEV_ROOT as relative path
change Makefile to relative path
change the #include in source files
Import of OOPSE v. 2.0