struct rgpot::MOPACPot::ConfigΒΆ
struct Config {
// fields
int charge = 0;
int spin = 0;
int model = 4;
double tolerance = 1.0;
int max_time = 3600;
std::string engine_path;
};
struct Config {
// fields
int charge = 0;
int spin = 0;
int model = 4;
double tolerance = 1.0;
int max_time = 3600;
std::string engine_path;
};