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1 parent c680655 commit 2d446fcCopy full SHA for 2d446fc
source/module_cell/module_neighbor/sltk_atom_input.cpp
@@ -25,9 +25,12 @@ Atom_input::Atom_input(std::ofstream& ofs_in,
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ModuleBase::GlobalFunc::OUT(ofs_in, "Amount(atom number)", amount);
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ModuleBase::GlobalFunc::OUT(ofs_in, "Periodic_boundary", periodic_boundary);
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ModuleBase::GlobalFunc::OUT(ofs_in, "Searching radius(lat0)", radius);
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- ModuleBase::WARNING_QUIT("atom_arrange::init", " search radius < 0,forbidden");
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}
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+ if (radius < 0.0)
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+ {
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+ ModuleBase::WARNING_QUIT("atom_arrange::init", " search radius < 0,forbidden");
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+ }
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// random selection, in order to estimate again.
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this->x_min = ucell.atoms[0].tau[0].x;
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this->y_min = ucell.atoms[0].tau[0].y;
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