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#include "Atom.hpp" |
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double* Atom::pos; // the position array |
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double* Atom::vel; // the velocity array |
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double* Atom::frc; // the forc array |
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double* Atom::trq; // the torque vector ( space fixed ) |
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void DirectionalAtom::setA( double the_A[3][3] ){ |
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Axx = the_A[0][0]; Axy = the_A[0][1]; Axz = the_A[0][2]; |
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void DirectionalAtom::getA( double the_A[3][3] ){ |
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A[0][0] = Axx; |
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A[0][1] = Axy; |
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A[0][2] = Axz; |
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the_A[0][0] = Axx; |
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the_A[0][1] = Axy; |
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the_A[0][2] = Axz; |
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A[1][0] = Ayx; |
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A[1][1] = Ayy; |
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A[1][2] = Ayz; |
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the_A[1][0] = Ayx; |
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the_A[1][1] = Ayy; |
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the_A[1][2] = Ayz; |
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A[2][0] = Azx; |
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A[2][1] = Azy; |
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A[2][2] = Azz; |
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the_A[2][0] = Azx; |
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the_A[2][1] = Azy; |
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the_A[2][2] = Azz; |
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} |
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