CI::Options Struct Reference

#include <ci.h>

List of all members.

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


Constructor & Destructor Documentation

CI::Options::Options (  )  [inline]

Initializes all the fields to sane values.


Member Data Documentation

ergo_real CI::Options::convergence_threshold

ergo_real CI::Options::energy_diff_limit

ergo_real CI::Options::initial_step_length

int CI::Options::max_no_of_iterations

int CI::Options::no_of_core_electrons

ergo_real CI::Options::shift

int CI::Options::use_energy_diff_limit

int CI::Options::use_lowdin_orbitals

int CI::Options::use_random_orbitals

int CI::Options::use_random_starting_guess


The documentation for this struct was generated from the following file:
Generated on Wed Nov 21 09:32:02 2012 for ergo by  doxygen 1.4.7