ergo
|
#include <ci.h>
Public Member Functions | |
Options () | |
Initializes all the fields to sane values. | |
Public Attributes | |
int | use_random_orbitals |
int | use_lowdin_orbitals |
int | no_of_core_electrons |
int | use_random_starting_guess |
ergo_real | convergence_threshold |
ergo_real | initial_step_length |
int | max_no_of_iterations |
ergo_real | shift |
int | use_energy_diff_limit |
ergo_real | energy_diff_limit |
CI::Options::Options | ( | ) | [inline] |
Initializes all the fields to sane values.
Referenced by do_CI().
Referenced by do_CI().
Referenced by do_CI().
Referenced by do_CI().
Referenced by do_CI().
Referenced by do_CI().
Referenced by do_CI().