MADNESS 0.10.1
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#include <SCF.h>
Public Member Functions | |
scf_data () | |
void | add_data (std::map< std::string, double > values) |
void | print_data () |
void | to_json (json &j) const |
Private Attributes | |
std::map< std::string, std::vector< double > > | e_data |
int | iter |
madness::scf_data::scf_data | ( | ) |
References e_data.
References e_data, iter, and v.
Referenced by madness::SCF::solve().
void madness::scf_data::print_data | ( | ) |
References e_data, and madness::print().
References e(), e_data, iter, and madness::print().
Referenced by madness::MolecularEnergy::output_calc_info_schema(), and madness::SCF::output_calc_info_schema().
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private |
Referenced by scf_data(), add_data(), print_data(), and to_json().
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private |
Referenced by add_data(), and to_json().