Fix bug in Kokkos when shrink-wrapping with no atoms
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@ -22,8 +22,7 @@
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using namespace LAMMPS_NS;
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#define BIG 1.0e20
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#define SMALL 1.0e-4
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static constexpr double BIG = 1.0e20;
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/* ---------------------------------------------------------------------- */
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@ -81,6 +80,11 @@ public:
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void DomainKokkos::reset_box()
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{
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// perform shrink-wrapping
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// nothing to do for empty systems
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if (atom->natoms == 0) return;
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// compute extent of atoms on this proc
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// for triclinic, this is done in lamda space
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