fix one more example input script

This commit is contained in:
Steve Plimpton
2023-08-22 16:02:28 -06:00
parent ad33a018f4
commit 71ca6ee47c
4 changed files with 3 additions and 11 deletions

View File

@ -63,9 +63,7 @@ undump dlocal
# TEST 2: # TEST 2:
# #
# This compute voronoi generates # This compute voronoi generates peratom and local and global quantities
# local and global quantities, but
# not per-atom quantities
compute v2 all voronoi/atom neighbors yes edge_histo 6 compute v2 all voronoi/atom neighbors yes edge_histo 6
@ -83,6 +81,3 @@ thermo_style custom c_sumarea c_v2[3] c_v2[4] c_v2[5] c_v2[6] c_v2[7]
thermo 1 thermo 1
run 0 run 0

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@ -31,8 +31,6 @@
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
enum{UNDECIDED,PERATOM,LOCAL}; // same as in ComputeReduceRegion
#define BIG 1.0e20 #define BIG 1.0e20
//---------------------------------------------------------------- //----------------------------------------------------------------
@ -232,6 +230,7 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Compute {} inputs must be all peratom or all local"); error->all(FLERR,"Compute {} inputs must be all peratom or all local");
input_mode = LOCAL; input_mode = LOCAL;
} }
iarg += 2;
} else } else
error->all(FLERR, "Unknown compute {} keyword: {}", style, arg[iarg]); error->all(FLERR, "Unknown compute {} keyword: {}", style, arg[iarg]);
} }

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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
class ComputeReduce : public Compute { class ComputeReduce : public Compute {
public: public:
enum { SUM, SUMSQ, SUMABS, MINN, MAXX, AVE, AVESQ, AVEABS, MINABS, MAXABS }; enum { SUM, SUMSQ, SUMABS, MINN, MAXX, AVE, AVESQ, AVEABS, MINABS, MAXABS };
enum { PERATOM, LOCAL }; enum { UNDECIDED, PERATOM, LOCAL };
ComputeReduce(class LAMMPS *, int, char **); ComputeReduce(class LAMMPS *, int, char **);
~ComputeReduce() override; ~ComputeReduce() override;

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@ -26,8 +26,6 @@
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
enum{UNDECIDED,PERATOM,LOCAL}; // same as in ComputeReduce
static constexpr double BIG = 1.0e20; static constexpr double BIG = 1.0e20;
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */