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root/group/trunk/OOPSE/libmdtools/Integrator.cpp
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Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 1124 by tim, Mon Apr 19 03:52:27 2004 UTC vs.
Revision 1125 by gezelter, Mon Apr 19 22:13:01 2004 UTC

# Line 710 | Line 710 | template<typename T> void Integrator<T>::rotationPropa
710      this->rotate( k, i, angle, ji, A );
711  
712    } else {
713 <  // rotate about the x-axis
714 <  angle = dt2 * ji[0] / I[0][0];
715 <  this->rotate( 1, 2, angle, ji, A );
716 <
717 <  // rotate about the y-axis
718 <  angle = dt2 * ji[1] / I[1][1];
719 <  this->rotate( 2, 0, angle, ji, A );
720 <
721 <  // rotate about the z-axis
722 <  angle = dt * ji[2] / I[2][2];
723 <  this->rotate( 0, 1, angle, ji, A);
724 <
725 <  // rotate about the y-axis
726 <  angle = dt2 * ji[1] / I[1][1];
727 <  this->rotate( 2, 0, angle, ji, A );
728 <
729 <  // rotate about the x-axis
730 <  angle = dt2 * ji[0] / I[0][0];
731 <  this->rotate( 1, 2, angle, ji, A );
732 <
713 >    // rotate about the x-axis
714 >    angle = dt2 * ji[0] / I[0][0];
715 >    this->rotate( 1, 2, angle, ji, A );
716 >    
717 >    // rotate about the y-axis
718 >    angle = dt2 * ji[1] / I[1][1];
719 >    this->rotate( 2, 0, angle, ji, A );
720 >    
721 >    // rotate about the z-axis
722 >    angle = dt * ji[2] / I[2][2];
723 >    this->rotate( 0, 1, angle, ji, A);
724 >    
725 >    // rotate about the y-axis
726 >    angle = dt2 * ji[1] / I[1][1];
727 >    this->rotate( 2, 0, angle, ji, A );
728 >    
729 >    // rotate about the x-axis
730 >    angle = dt2 * ji[0] / I[0][0];
731 >    this->rotate( 1, 2, angle, ji, A );
732 >    
733    }
734    sd->setA( A  );
735   }

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