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root/group/trunk/OOPSE/libmdtools/Bend.cpp
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Comparing trunk/OOPSE/libmdtools/Bend.cpp (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 670 by mmeineke, Thu Aug 7 21:47:18 2003 UTC

# Line 29 | Line 29 | void Bend::calc_forces(){
29    double dadxk, dadyk, dadzk;//, dadxj, dadyj, dadzj;
30    double daxi, dayi, dazi, daxk, dayk, dazk, daxj, dayj, dazj;
31    
32 +  double aR[3], bR[3], cR[3];
33 +  double aF[3], bF[3], cF[3];
34  
35 +  c_p_a->getPos( aR );
36 +  c_p_b->getPos( bR );
37 +  c_p_c->getPos( cR );
38 +  
39  
40 <  dx = c_p_a->getX() - c_p_b->getX();
41 <  dy = c_p_a->getY() - c_p_b->getY();
42 <  dz = c_p_a->getZ() - c_p_b->getZ();
40 >  dx = aR[0] - bR[0];
41 >  dy = aR[1] - bR[1];
42 >  dz = aR[2] - bR[2];
43  
44 <  gx = c_p_c->getX() - c_p_b->getX();
45 <  gy = c_p_c->getY() - c_p_b->getY();
46 <  gz = c_p_c->getZ() - c_p_b->getZ();
44 >  gx = cR[0] - bR[0];
45 >  gy = cR[1] - bR[1];
46 >  gz = cR[2] - bR[2];
47    
48    dx2 = dx * dx;
49    dy2 = dy * dy;
# Line 107 | Line 113 | void Bend::calc_forces(){
113    daxj = -daxi - daxk;
114    dayj = -dayi - dayk;
115    dazj = -dazi - dazk;
116 +  
117 +  aF[0] = daxi;
118 +  aF[1] = dayi;
119 +  aF[2] = dazi;
120  
121 <  c_p_a->addFx(daxi);
122 <  c_p_a->addFy(dayi);
123 <  c_p_a->addFz(dazi);
121 >  bF[0] = daxj;
122 >  bF[1] = dayj;
123 >  bF[2] = dazj;
124  
125 <  c_p_b->addFx(daxj);
126 <  c_p_b->addFy(dayj);
127 <  c_p_b->addFz(dazj);
125 >  cF[0] = daxk;
126 >  cF[1] = dayk;
127 >  cF[2] = dazk;
128  
129 <  c_p_c->addFx(daxk);
130 <  c_p_c->addFy(dayk);
131 <  c_p_c->addFz(dazk);
129 >  c_p_a->addFrc(aF);
130 >  c_p_b->addFrc(bF);
131 >  c_p_c->addFrc(cF);
132  
133    return;
134   }

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