diff --git a/src/compute.h b/src/compute.h index 068f86ca9f..3ffe60d18c 100644 --- a/src/compute.h +++ b/src/compute.h @@ -16,9 +16,6 @@ #include "pointers.h" // IWYU pragma: export -#include -#include - namespace LAMMPS_NS { class Compute : protected Pointers { @@ -97,8 +94,6 @@ class Compute : protected Pointers { double dof; // degrees-of-freedom for temperature - std::map, int> atoms2bond; // maps atom pair to index of local bond array - int comm_forward; // size of forward communication (0 if none) int comm_reverse; // size of reverse communication (0 if none) int dynamic_group_allow; // 1 if can be used with dynamic group, else 0 diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp index ef07456070..f2603e8cdd 100644 --- a/src/compute_bond_local.cpp +++ b/src/compute_bond_local.cpp @@ -247,7 +247,6 @@ int ComputeBondLocal::compute_bonds(int flag) double mvv2e; double engpot,engtrans,engvib,engrot,fbond; double *ptr; - std::set aset; double **x = atom->x; double **v = atom->v; @@ -391,11 +390,6 @@ int ComputeBondLocal::compute_bonds(int flag) engrot *= mvv2e; } - // populate map to access per-bond values from atom tags - - aset = {tag[atom1], tag[atom2]}; - atoms2bond.insert(std::make_pair(aset,m)); - if (nvalues == 1) ptr = &vlocal[m]; else ptr = alocal[m];