diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index 9ed50a878e..29386bb299 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -174,7 +174,10 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) : // setup and error check for (int i = 0; i < nvalues; i++) { - if (which[i] == COMPUTE) { + if (which[i] == X || which[i] == V || which[i] == F) + flavor[i] = PERATOM; + + else if (which[i] == COMPUTE) { int icompute = modify->find_compute(ids[i]); if (icompute < 0) error->all("Compute ID for compute reduce does not exist");