# | Line 2 | Line 2 | |
---|---|---|
2 | ||
3 | #include "Atom.hpp" | |
4 | ||
5 | + | double* Atom::pos; // the position array |
6 | + | double* Atom::vel; // the velocity array |
7 | + | double* Atom::frc; // the forc array |
8 | + | double* Atom::trq; // the torque vector ( space fixed ) |
9 | + | |
10 | void DirectionalAtom::setA( double the_A[3][3] ){ | |
11 | ||
12 | Axx = the_A[0][0]; Axy = the_A[0][1]; Axz = the_A[0][2]; | |
# | Line 39 | Line 44 | void DirectionalAtom::setQ( double the_q[4] ){ | |
44 | Azz = q0Sqr - q1Sqr -q2Sqr +q3Sqr; | |
45 | } | |
46 | ||
47 | + | void DirectionalAtom::getA( double the_A[3][3] ){ |
48 | + | |
49 | + | the_A[0][0] = Axx; |
50 | + | the_A[0][1] = Axy; |
51 | + | the_A[0][2] = Axz; |
52 | + | |
53 | + | the_A[1][0] = Ayx; |
54 | + | the_A[1][1] = Ayy; |
55 | + | the_A[1][2] = Ayz; |
56 | + | |
57 | + | the_A[2][0] = Azx; |
58 | + | the_A[2][1] = Azy; |
59 | + | the_A[2][2] = Azz; |
60 | + | } |
61 | + | |
62 | + | |
63 | void DirectionalAtom::getU( double the_u[3] ){ | |
64 | ||
65 | the_u[0] = sux; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |