Functions | |
| subroutine, public | atom_pseudo_opt (atom_section, error) |
Variables | |
| CHARACTER(len=*), parameter, private | moduleN = 'atom_pseudo' |
Function Documentation
| subroutine,public atom_pseudo::atom_pseudo_opt | ( | TYPE(section_vals_type),pointer | atom_section, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) |
Definition at line 59 of file atom_pseudo.f90.
References atom_utils::atom_consistent_method(), atom_fit::atom_fit_pseudo(), atom_operators::atom_int_release(), atom_output::atom_print_basis(), physcon::bohr, atom_electronic_structure::calculate_atom(), cp_output_handling::cp_print_key_finished_output(), CPPostcondition, atom_types::create_atom_orbs(), atom_types::create_atom_type(), input_constants::do_analytic, atom_types::init_atom_basis(), atom_types::init_atom_potential(), periodic_table::nelem, atom_types::read_atom_opt_section(), atom_types::release_atom_basis(), atom_types::release_atom_potential(), atom_types::release_atom_type(), input_section_types::section_vals_get(), atom_types::set_atom(), and timings::timeset().
Referenced by atom::atom_code().
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Variable Documentation
| CHARACTER(len=*),parameter,private atom_pseudo::moduleN = 'atom_pseudo' |
Definition at line 51 of file atom_pseudo.f90.
