#include <ci.h>
◆ Options()
Initializes all the fields to sane values.
◆ convergence_threshold
◆ energy_diff_limit
◆ initial_step_length
◆ max_no_of_iterations
int CI::Options::max_no_of_iterations |
◆ no_of_core_electrons
int CI::Options::no_of_core_electrons |
◆ shift
◆ use_energy_diff_limit
int CI::Options::use_energy_diff_limit |
◆ use_lowdin_orbitals
int CI::Options::use_lowdin_orbitals |
◆ use_random_orbitals
int CI::Options::use_random_orbitals |
◆ use_random_starting_guess
int CI::Options::use_random_starting_guess |
The documentation for this struct was generated from the following file: