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