diff --git a/src/ELECTRODE/electrode_vector.cpp b/src/ELECTRODE/electrode_vector.cpp index 4e55f2ef23..07797d7a46 100644 --- a/src/ELECTRODE/electrode_vector.cpp +++ b/src/ELECTRODE/electrode_vector.cpp @@ -115,7 +115,7 @@ void ElectrodeVector::compute_vector(double *vector) void ElectrodeVector::pair_contribution(double *vector) { - double const etaij = eta * eta / sqrt(2.0 * eta * eta); + double const etaij = eta * MY_ISQRT2; double **x = atom->x; double *q = atom->q; int *type = atom->type;