diff --git a/src/Chemistry/MasterFunctions.cpp b/src/Chemistry/MasterFunctions.cpp index c1ce0b75e..59f2e660c 100644 --- a/src/Chemistry/MasterFunctions.cpp +++ b/src/Chemistry/MasterFunctions.cpp @@ -190,14 +190,6 @@ void poet::ChemistryModule::computeStats(const std::vector &pqc_vector, double pqc_value = pqc_vector[i * size_per_prop + j]; double sur_value = sur_vector[i * size_per_prop + j]; -if (i == 0 && (j % 10000 == 0)) { - std::cout << "i=" << i << ", j=" << j - << ", idx=" << i * size_per_prop + j - << ", pqc=" << pqc_value - << ", sur=" << sur_value - << std::endl; -} - if (pqc_value != 0) { double rel_err = (pqc_value - sur_value) / pqc_value; @@ -211,11 +203,6 @@ if (i == 0 && (j % 10000 == 0)) { sqr_err_sum += 1.0; count++; } - - if (pqc_value == 0 && sur_value == 0) - { - } - // else: both cases are zero, skip (no error) } if (i == 0)