| # | Line 39 | Line 39 | void DirectionalAtom::setQ( double the_q[4] ){ | |
|---|---|---|
| 39 | Azz = q0Sqr - q1Sqr -q2Sqr +q3Sqr; | |
| 40 | } | |
| 41 | ||
| 42 | + | void DirectionalAtom::getA( double the_A[3][3] ){ |
| 43 | + | |
| 44 | + | A[0][0] = Axx; |
| 45 | + | A[0][1] = Axy; |
| 46 | + | A[0][2] = Axz; |
| 47 | + | |
| 48 | + | A[1][0] = Ayx; |
| 49 | + | A[1][1] = Ayy; |
| 50 | + | A[1][2] = Ayz; |
| 51 | + | |
| 52 | + | A[2][0] = Azx; |
| 53 | + | A[2][1] = Azy; |
| 54 | + | 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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