reformat
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@ -18,10 +18,12 @@
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using namespace LAMMPS_NS;
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TabularFunction::TabularFunction()
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: size(0), xmin(0.0), xmax(0.0), xmaxsq(0.0), rdx(0.0), vmax(0.0),
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TabularFunction::TabularFunction() :
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size(0), xmin(0.0), xmax(0.0), xmaxsq(0.0), rdx(0.0), vmax(0.0),
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xs(nullptr), ys(nullptr), ys1(nullptr), ys2(nullptr), ys3(nullptr),
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ys4(nullptr), ys5(nullptr), ys6(nullptr) {}
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ys4(nullptr), ys5(nullptr), ys6(nullptr)
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{
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}
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TabularFunction::~TabularFunction()
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{
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@ -78,9 +80,8 @@ void TabularFunction::initialize()
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int i;
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rdx = (xmax - xmin) / (size - 1.0);
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vmax = 0.0;
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for (int i = 0; i < size; i++) {
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for (i = 0; i < size; i++)
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if (fabs(ys[i]) > vmax) vmax = fabs(ys[i]);
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}
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for (i = 0; i < size; i++) xs[i] = xmin + i * rdx;
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rdx = 1.0 / rdx;
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ys1[0] = ys[1] - ys[0];
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