ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/branches/new_design/OOPSE-2.0/src/primitives/Bond.hpp
(Generate patch)

Comparing branches/new_design/OOPSE-2.0/src/primitives/Bond.hpp (file contents):
Revision 1746 by tim, Mon Nov 1 22:52:57 2004 UTC vs.
Revision 1747 by tim, Wed Nov 17 18:58:49 2004 UTC

# Line 44 | Line 44 | class Bond {
44  
45          void calcForce() {
46              double len;
47 <            double totalForce;
47 >            double dvdr;
48              Vector3d r12;
49              Vector3d force;
50  
51 <            r12 = atom2->getPos() - atom1->getPos();
51 >            r12 = atom2_->getPos() - atom1_->getPos();
52              len = r12.length();            
53 <            bondType_->calcForce(len, totalForce, potential);
53 >            bondType_->calcForce(len,  potential_, dvdr);
54  
55 <            force = r12 * (-totalForce / len);
55 >            force = r12 * (-dvdr / len);
56              
57 <            atom1->addFrc(force);
58 <            atom1->addFrc(-force);
57 >            atom1_->addFrc(force);
58 >            atom2_->addFrc(-force);
59         }
60          
61          double getPotential() {
62 <            return potential;
62 >            return potential_;
63          }
64  
65      private:
66 +        
67          BondType* bondType_; /**< bond type */
68 <        Atom* atom1;
69 <        Atom* atom2;
70 <        double potential;
68 >        Atom* atom1_;
69 >        Atom* atom2_;
70 >        double potential_;
71   };    
72  
73  

Diff Legend

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