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finish high at 1e-8
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ahurta92 committed Jul 1, 2024
1 parent fb275a7 commit 9380dd1
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 @@ -461,7 +461,7 @@ 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-7});
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);
} else if (precision == "low") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-4, 1e-6});
Expand Down Expand Up @@ -507,7 +507,7 @@ void set_hyperpolarizability_parameters(World &world, ResponseParameters &r_para
// r_params.set_user_defined_value("property", property);

if (precision == "high") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-7});
r_params.set_user_defined_value<vector<double>>("protocol", {1e-8});
r_params.set_user_defined_value<double>("dconv", 1e-6);
} else if (precision == "low") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-6});
Expand All @@ -529,7 +529,7 @@ void set_frequency_response_parameters(World &world, ResponseParameters &r_param
const std::string &xc, const double &frequency, const std::string &precision) {
if (world.rank() == 0) {
if (precision == "high") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-4, 1e-6, 1e-7});
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);
} else if (precision == "low") {
r_params.set_user_defined_value<vector<double>>("protocol", {1e-4, 1e-6});
Expand Down

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