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Tighten the density convergence
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ahurta92 committed Nov 6, 2023
1 parent 95d741d commit 67b7f38
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/apps/molresponse/testing/runners.hpp
Original file line number Diff line number Diff line change
Expand Up @@ -472,13 +472,13 @@ void set_excited_parameters(World &world, ResponseParameters &r_params, const st
if (world.rank() == 0) {
if (precision == "high") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-4, 1e-6, 1e-8});
r_params.set_user_defined_value<double>("dconv", 1e-6);
r_params.set_user_defined_value<double>("dconv", 1e-7);
} else if (precision == "low") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-4, 1e-6});
r_params.set_user_defined_value<double>("dconv", 1e-4);
r_params.set_user_defined_value<double>("dconv", 1e-5);
} else {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-9});
r_params.set_user_defined_value<double>("dconv", 1e-6);
r_params.set_user_defined_value<double>("dconv", 1e-7);
}
//r_params.set_user_defined_value("archive", std::string("../restartdata"));
r_params.set_user_defined_value("maxiter", size_t(15));
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