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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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double* Atom::Amat; // the rotation matrix |
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double* Atom::mu; // the array of dipole moments |
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double* Atom::ul; // the lab frame unit directional vector |
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int Atom::nElements; |
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Atom::Atom(int theIndex) { |
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c_n_hyd = 0; |
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has_dipole = 0; |
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Azz = Axx+8; |
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} |
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void Atom::createArrays (int nElements) { |
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void Atom::createArrays (int the_nElements) { |
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int i; |
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nElements = the_nElements; |
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pos = new double[nElements*3]; |
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vel = new double[nElements*3]; |
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frc = new double[nElements*3]; |