remove trailing whitespace
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@ -1690,18 +1690,18 @@ void Group::omega(double *angmom, double inertia[3][3], double *w)
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if (determinant > EPSILON) {
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inverse[0][0] = inertia[1][1]*inertia[2][2] - inertia[1][2]*inertia[2][1];
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inverse[0][1] = -(inertia[0][1]*inertia[2][2] -
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inverse[0][1] = -(inertia[0][1]*inertia[2][2] -
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inertia[0][2]*inertia[2][1]);
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inverse[0][2] = inertia[0][1]*inertia[1][2] - inertia[0][2]*inertia[1][1];
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inverse[1][0] = -(inertia[1][0]*inertia[2][2] -
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inverse[1][0] = -(inertia[1][0]*inertia[2][2] -
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inertia[1][2]*inertia[2][0]);
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inverse[1][1] = inertia[0][0]*inertia[2][2] - inertia[0][2]*inertia[2][0];
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inverse[1][2] = -(inertia[0][0]*inertia[1][2] -
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inverse[1][2] = -(inertia[0][0]*inertia[1][2] -
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inertia[0][2]*inertia[1][0]);
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inverse[2][0] = inertia[1][0]*inertia[2][1] - inertia[1][1]*inertia[2][0];
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inverse[2][1] = -(inertia[0][0]*inertia[2][1] -
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inverse[2][1] = -(inertia[0][0]*inertia[2][1] -
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inertia[0][1]*inertia[2][0]);
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inverse[2][2] = inertia[0][0]*inertia[1][1] - inertia[0][1]*inertia[1][0];
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@ -1735,25 +1735,25 @@ void Group::omega(double *angmom, double inertia[3][3], double *w)
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ez[0] = evectors[0][2];
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ez[1] = evectors[1][2];
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ez[2] = evectors[2][2];
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// enforce 3 evectors as a right-handed coordinate system
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// flip 3rd vector if needed
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MathExtra::cross3(ex,ey,cross);
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if (MathExtra::dot3(cross,ez) < 0.0) MathExtra::negate3(ez);
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// if any principal moment < scaled EPSILON, set to 0.0
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double max;
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max = MAX(idiag[0],idiag[1]);
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max = MAX(max,idiag[2]);
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if (idiag[0] < EPSILON*max) idiag[0] = 0.0;
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if (idiag[1] < EPSILON*max) idiag[1] = 0.0;
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if (idiag[2] < EPSILON*max) idiag[2] = 0.0;
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// calculate omega using diagonalized inertia matrix
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MathExtra::angmom_to_omega(angmom,ex,ey,ez,idiag,w);
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}
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}
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