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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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namespace oopse { |
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GhostTorsion::GhostTorsion(Atom *atom1, Atom *atom2, DirectionalAtom* ghostAtom, |
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TorsionType *tt) : Torsion(atom1, atom2, ghostAtom, ghostAtom, tt) {} |
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GhostTorsion::GhostTorsion(Atom *atom1, Atom *atom2, DirectionalAtom* ghostAtom, |
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TorsionType *tt) : Torsion(atom1, atom2, ghostAtom, ghostAtom, tt) {} |
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void GhostTorsion::calcForce() { |
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DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atom2_); |
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void GhostTorsion::calcForce() { |
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DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atom3_); |
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Vector3d pos1 = atom1_->getPos(); |
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Vector3d pos2 = atom2_->getPos(); |
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f3.negate(); |
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ghostAtom->addTrq(cross(r43, f3)); |
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} |
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} |
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} |
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