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root/group/branches/new_design/OOPSE-4/src/primitives/Atom.cpp
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Comparing branches/new_design/OOPSE-4/src/primitives/Atom.cpp (file contents):
Revision 1825 by tim, Mon Nov 1 20:15:58 2004 UTC vs.
Revision 1826 by tim, Thu Dec 2 05:04:20 2004 UTC

# Line 35 | Line 35 | std::vector<double> Atom::getGrad() {
35   }    
36  
37   std::vector<double> Atom::getGrad() {
38 <    vector<double> grad(3);
38 >     std::vector<double> grad(3);
39      Vector3d force= getFrc();
40  
41      grad[0] = -force[0];

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