diff --git a/src/one-body-sample.cc b/src/one-body-sample.cc index c5cb4cc4e6dda008619d1de57fdff7f04688cbcb..d51ffa4b98571a26ee3b856b9e26b5f910b2a67f 100644 --- a/src/one-body-sample.cc +++ b/src/one-body-sample.cc @@ -275,7 +275,8 @@ int main(int argc, char *argv[]) { std::cout << '.'; std::cout.flush(); } - if (energyNorm.diff(u4_diff_old, u4_diff) < 1e-14) // TODO + if (energyNorm.diff(u4_diff_old, u4_diff) < + parset.get<double>("solver.tnnmg.fixed_point_tolerance")) break; } diff --git a/src/one-body-sample.parset b/src/one-body-sample.parset index c87dea6c39cf4b3efded4efcb608d8fdc12cfe88..639a5ce08a285fd2fc4e67e22661f1b9da259473 100644 --- a/src/one-body-sample.parset +++ b/src/one-body-sample.parset @@ -27,6 +27,7 @@ tolerance = 1e-14 use = true maxiterations = 1000000 fixed_point_iterations = 20 +fixed_point_tolerance = 1e-14 [solver.tnnmg.linear] maxiterations = 1000000