ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/Atom.hpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/Atom.hpp (file contents):
Revision 599 by mmeineke, Mon Jul 14 21:48:43 2003 UTC vs.
Revision 631 by chuckv, Thu Jul 17 19:25:51 2003 UTC

# Line 105 | Line 105 | class Atom{ (public)
105    void seVDW( void )        { is_VDW = 1; is_LJ = 0; }
106    int isVDW( void )    { return is_VDW; }
107  
108 +  void setEAM( void ) { is_EAM = 1; }
109 +  int  isEAM( void ) { return is_EAM; }
110 +
111    virtual int isDirectional( void ) = 0;
112  
113  
# Line 131 | Line 134 | class Atom{ (public)
134    int has_dipole; // dipole boolean
135    int is_VDW;    // VDW boolean
136    int is_LJ;    // LJ boolean
137 +  int is_EAM; //EAM boolean
138  
139   #ifdef IS_MPI
140    int myGlobalIndex;
# Line 215 | Line 219 | class DirectionalAtom : public Atom { (public)
219    void getTrq( double theT[3] );
220    void addTrq( double theT[3] );
221  
222 <  double getTx( void ) { return trq[offsetX];}
223 <  double getTy( void ) { return trq[offsetY]; }
224 <  double getTz( void ) { return trq[offsetZ]; }
222 >  //  double getTx( void ) { return trq[offsetX];}
223 >  //  double getTy( void ) { return trq[offsetY]; }
224 >  //  double getTz( void ) { return trq[offsetZ]; }
225  
226    void addTx( double the_tx ) { trq[offsetX] += the_tx;}
227    void addTy( double the_ty ) { trq[offsetY] += the_ty;}

Diff Legend

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