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root/group/trunk/OOPSE/libmdtools/Atom.hpp
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Comparing trunk/OOPSE/libmdtools/Atom.hpp (file contents):
Revision 631 by chuckv, Thu Jul 17 19:25:51 2003 UTC vs.
Revision 669 by chuckv, Thu Aug 7 00:47:33 2003 UTC

# Line 70 | Line 70 | class Atom{ (public)
70  
71    double getMass() const {return c_mass;}
72    void setMass(double mass) {c_mass = mass;}
73 +
74 +  double getEamRcut() const {return myEamRcut;}
75 +  void setEamRcut(double eamRcut) {myEamRcut = eamRcut;}
76    
77    double getSigma() const {return c_sigma;}
78    void setSigma(double sigma) {c_sigma = sigma;}
# Line 118 | Line 121 | class Atom{ (public)
121    double c_epslon; /* the esplon parameter for VDW interactions */
122    double c_covalent; // The covalent radius of the atom.
123  
124 +  double myEamRcut; // Atom rcut for eam defined by the forcefield.
125 +
126    int index; /* set the atom's index */
127    int offset; // the atom's offset in the storage array
128    int offsetX, offsetY, offsetZ;

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