Merge branch 'neigh-identical-check' into couple-simple
# Conflicts: # src/create_bonds.cpp # src/delete_atoms.cpp
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@ -306,12 +306,6 @@ void CreateBonds::many()
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nadd_bonds,atom->nbonds);
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}
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}
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// trigger clearing the list of available neighbor list requests
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// and a full rebuild of them during the next run setup
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// otherwise the request from this command may linger around
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neighbor->init();
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}
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/* ---------------------------------------------------------------------- */
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@ -344,7 +338,7 @@ void CreateBonds::single_bond()
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bond_atom[m][num_bond[m]] = batom2;
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num_bond[m]++;
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}
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++atom->nbonds;
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atom->nbonds++;
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if (force->newton_bond) return;
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@ -392,7 +386,7 @@ void CreateBonds::single_angle()
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angle_atom3[m][num_angle[m]] = aatom3;
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num_angle[m]++;
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}
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++atom->nangles;
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atom->nangles++;
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if (force->newton_bond) return;
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@ -456,7 +450,7 @@ void CreateBonds::single_dihedral()
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dihedral_atom4[m][num_dihedral[m]] = datom4;
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num_dihedral[m]++;
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}
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++atom->ndihedrals;
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atom->ndihedrals++;
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if (force->newton_bond) return;
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@ -407,12 +407,6 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
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break;
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}
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}
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// trigger clearing the list of available neighbor list requests
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// and a full rebuild of them during the next run setup
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// otherwise the request from this command may linger around
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neighbor->init();
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}
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/* ----------------------------------------------------------------------
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@ -36,7 +36,7 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
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half = 1;
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full = 0;
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// attribute flags, mutiple can be set to 1
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// default is every reneighboring, not occasional
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// default is use newton_pair setting in force
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@ -69,7 +69,7 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
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cutoff = 0.0;
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// skip info, default is no skipping
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skip = 0;
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iskip = NULL;
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ijskip = NULL;
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@ -123,7 +123,7 @@ int NeighRequest::identical(NeighRequest *other)
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// only compare settings made by requestors
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// not settings made later by Neighbor class
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if (pair != other->pair) same = 0;
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if (fix != other->fix) same = 0;
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if (compute != other->compute) same = 0;
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@ -152,7 +152,8 @@ int NeighRequest::identical(NeighRequest *other)
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if (cutoff != other->cutoff) same = 0;
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if (skip != other->skip) same = 0;
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if (skip) same = same_skip(other);
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if (same && skip && other->skip) same = same_skip(other);
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if (skip && other->skip) same = same_skip(other);
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return same;
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}
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