fix one more example input script
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@ -63,9 +63,7 @@ undump dlocal
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# TEST 2:
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#
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# This compute voronoi generates
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# local and global quantities, but
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# not per-atom quantities
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# This compute voronoi generates peratom and local and global quantities
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compute v2 all voronoi/atom neighbors yes edge_histo 6
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@ -83,6 +81,3 @@ thermo_style custom c_sumarea c_v2[3] c_v2[4] c_v2[5] c_v2[6] c_v2[7]
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thermo 1
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run 0
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@ -31,8 +31,6 @@
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using namespace LAMMPS_NS;
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enum{UNDECIDED,PERATOM,LOCAL}; // same as in ComputeReduceRegion
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#define BIG 1.0e20
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//----------------------------------------------------------------
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@ -232,6 +230,7 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
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error->all(FLERR,"Compute {} inputs must be all peratom or all local");
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input_mode = LOCAL;
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}
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iarg += 2;
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} else
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error->all(FLERR, "Unknown compute {} keyword: {}", style, arg[iarg]);
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}
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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
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class ComputeReduce : public Compute {
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public:
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enum { SUM, SUMSQ, SUMABS, MINN, MAXX, AVE, AVESQ, AVEABS, MINABS, MAXABS };
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enum { PERATOM, LOCAL };
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enum { UNDECIDED, PERATOM, LOCAL };
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ComputeReduce(class LAMMPS *, int, char **);
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~ComputeReduce() override;
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@ -26,8 +26,6 @@
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using namespace LAMMPS_NS;
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enum{UNDECIDED,PERATOM,LOCAL}; // same as in ComputeReduce
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static constexpr double BIG = 1.0e20;
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/* ---------------------------------------------------------------------- */
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