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root/group/trunk/mdtools/md_code/DirectionalAtom.cpp
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Comparing:
branches/mmeineke/mdtools/md_code/DirectionalAtom.cpp (file contents), Revision 10 by mmeineke, Tue Jul 9 18:40:59 2002 UTC vs.
trunk/mdtools/md_code/DirectionalAtom.cpp (file contents), Revision 31 by mmeineke, Tue Jul 16 21:38:22 2002 UTC

# Line 39 | Line 39 | void DirectionalAtom::getU( double the_u[3] ){
39    Azz = q0Sqr - q1Sqr -q2Sqr +q3Sqr;
40   }
41  
42 + void DirectionalAtom::getA( double the_A[3][3] ){
43 +  
44 +  the_A[0][0] = Axx;
45 +  the_A[0][1] = Axy;
46 +  the_A[0][2] = Axz;
47 +
48 +  the_A[1][0] = Ayx;
49 +  the_A[1][1] = Ayy;
50 +  the_A[1][2] = Ayz;
51 +
52 +  the_A[2][0] = Azx;
53 +  the_A[2][1] = Azy;
54 +  the_A[2][2] = Azz;
55 + }
56 +
57 +
58   void DirectionalAtom::getU( double the_u[3] ){
59    
60    the_u[0] = sux;

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