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root/OpenMD/branches/development/test/brains/Atom.cpp
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Comparing trunk/test/brains/Atom.cpp (file contents):
Revision 147 by tim, Sat Oct 23 23:09:46 2004 UTC vs.
Revision 197 by tim, Mon Nov 1 19:57:07 2004 UTC

# Line 23 | Line 23
23   *
24   */
25  
26 + #include "primitives/Atom.hpp"
27   namespace oopse {
28  
29 < Atom::Atom() : objType_(otAtom), storage_(&Snapshot::atomData){
29 > Atom::Atom(AtomType* at) : StuntDouble(otAtom, &Snapshot::atomData) ,atomType_(at) {
30  
31   }
32  
# Line 33 | Line 34 | Mat3x3d Atom::getI() {
34      return Mat3x3d::identity();
35   }    
36  
36 void Atom::setI(Mat3x3d& I) {
37    //warning message
38 }    
39
37   std::vector<double> Atom::getGrad() {
38      vector<double> grad(3);
39      Vector3d force= getFrc();

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