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#include <math.h> |
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#include "Atom.hpp" |
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#include "DirectionalAtom.hpp" |
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#include "simError.h" |
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#include "MatVec3.h" |
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#include "primitives/Atom.hpp" |
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#include "primitives/DirectionalAtom.hpp" |
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#include "utils/simError.h" |
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#include "math/MatVec3.h" |
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void DirectionalAtom::zeroForces() { |
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if( hasCoords ){ |
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} |
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void DirectionalAtom::setI( double the_I[3][3] ){ |
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int n_linear_coords, i, j; |
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Ixx = the_I[0][0]; Ixy = the_I[0][1]; Ixz = the_I[0][2]; |
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Iyx = the_I[1][0]; Iyy = the_I[1][1]; Iyz = the_I[1][2]; |
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Izx = the_I[2][0]; Izy = the_I[2][1]; Izz = the_I[2][2]; |
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n_linear_coords = 0; |
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for (i = 0; i<3; i++) { |
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if (fabs(the_I[i][i]) < momIntTol) { |
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is_linear = true; |
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n_linear_coords++; |
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linear_axis = i; |
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} |
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} |
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if (n_linear_coords > 1) { |
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sprintf( painCave.errMsg, |
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"DirectionalAtom error.\n" |
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"\tOOPSE was told to set more than one axis in this\n" |
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"\tDirectionalAtom to a vanishing moment of inertia.\n" |
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"\tThis should not be a DirectionalAtom. Use an Atom.\n" |
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); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} |
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void DirectionalAtom::setQ( double the_q[4] ){ |
