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occ
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Namespaces | |
| namespace | occ |
| namespace | occ::main |
| main module for functionaliity related to single point energies etc. | |
Functions | |
| CLI::App * | occ::main::add_scf_subcommand (CLI::App &app) |
| void | occ::main::run_scf_subcommand (occ::io::OccInput config) |
| void | occ::main::read_input_file (const std::string &filename, io::OccInput &config) |
| occ::qm::Wavefunction | occ::main::run_scf_external (occ::io::OccInput config, bool write_wfn=false) |