ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/brains/Register.cpp
(Generate patch)

Comparing trunk/src/brains/Register.cpp (file contents):
Revision 1032 by gezelter, Fri Sep 1 19:16:02 2006 UTC vs.
Revision 1153 by chuckv, Mon Jul 9 21:03:53 2007 UTC

# Line 64 | Line 64
64   #include "UseTheForce/ForceFieldCreator.hpp"
65   #include "UseTheForce/SHAPES_FF.hpp"
66   #include "UseTheForce/SC_FF.hpp"
67 + #include "UseTheForce/MnM_FF.hpp"
68   #include "UseTheForce/CLAYFF.hpp"
69   #include "lattice/LatticeFactory.hpp"
70   #include "lattice/LatticeCreator.hpp"
# Line 76 | Line 77
77   #include "openbabel/pdbformat.hpp"
78   //#include "openbabel/povrayformat.hpp"
79   //#include "openbabel/smilesformat.hpp"
80 < #include "openbabel/tinkerformat.hpp"
80 > //#include "openbabel/tinkerformat.hpp"
81   #include "openbabel/xyzformat.hpp"
82  
83  
# Line 95 | Line 96 | namespace oopse {
96      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
97      //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
98      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
99 +                //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
100 +                //That sounds like a good idea right......
101 +                ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
102      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
103    }
104  
# Line 131 | Line 135 | namespace oopse {
135      static OpenBabel::PDBFormat pdbFormatInstance;
136      //static OpenBabel::PovrayFormat povaryFormatInstance;
137      //static OpenBabel::SMIFormat smilesFormatInstance;
138 <    static OpenBabel::TinkerFormat tinkerFormatInstance;
138 >    //static OpenBabel::TinkerFormat tinkerFormatInstance;
139      static OpenBabel::XYZFormat xyzFormatInstance;    
140    }
141    

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines