remove trailing whitespace
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@ -207,7 +207,7 @@ void ComputeCentroAtom::compute_peratom()
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// check whether to include local crystal symmetry axes
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if (!axes_flag) {
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// if not nnn neighbors, centro = 0.0
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if (n < nnn) {
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@ -234,9 +234,9 @@ void ComputeCentroAtom::compute_peratom()
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}
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}
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} else {
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// calculate local crystal symmetry axes
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// rsq1, rsq2 are two smallest values of R^2
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@ -248,7 +248,7 @@ void ComputeCentroAtom::compute_peratom()
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double* r1 = &array_atom[i][1];
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double* r2 = &array_atom[i][4];
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double* r3 = &array_atom[i][7];
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if (n < nnn) {
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centro[i] = 0.0;
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MathExtra::zero3(r1);
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@ -272,7 +272,7 @@ void ComputeCentroAtom::compute_peratom()
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delz = x[jj][2] + x[kk][2] - 2.0*ztmp;
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double rsq = delx*delx + dely*dely + delz*delz;
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pairs[n++] = rsq;
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if (rsq < rsq2) {
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if (rsq < rsq1) {
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rsq2 = rsq1;
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