Psi4
Public Attributes | List of all members
psi::cceom::Eom_params Struct Reference

#include <Params.h>

Public Attributes

int max_iter
 
int vectors_per_root
 
int * states_per_irrep
 
int * cs_per_irrep
 
double * state_energies
 
int number_of_states
 
double eval_tol
 
double eval_tol_SS
 
double residual_tol
 
int prop_root
 
int prop_sym
 
int save_all
 
int print_singles
 
double complex_tol
 
double schmidt_add_residual_tol
 
int max_iter_SS
 
int vectors_per_root_SS
 
int excitation_range
 
double residual_tol_SS
 
std::string guess
 
int rhf_triplets
 
int mult
 
bool follow_root
 
int collapse_with_last
 
int skip_diagSS
 
int vectors_cc3
 
int restart_eom_cc3
 
int amps_to_print
 
int dot_with_L
 
double L0
 
int L_irr
 

Member Data Documentation

int psi::cceom::Eom_params::amps_to_print
int psi::cceom::Eom_params::collapse_with_last
double psi::cceom::Eom_params::complex_tol
int* psi::cceom::Eom_params::cs_per_irrep
int psi::cceom::Eom_params::dot_with_L
double psi::cceom::Eom_params::eval_tol
double psi::cceom::Eom_params::eval_tol_SS
int psi::cceom::Eom_params::excitation_range
bool psi::cceom::Eom_params::follow_root
std::string psi::cceom::Eom_params::guess
double psi::cceom::Eom_params::L0
int psi::cceom::Eom_params::L_irr
int psi::cceom::Eom_params::max_iter
int psi::cceom::Eom_params::max_iter_SS
int psi::cceom::Eom_params::mult
int psi::cceom::Eom_params::number_of_states
int psi::cceom::Eom_params::print_singles
int psi::cceom::Eom_params::prop_root
int psi::cceom::Eom_params::prop_sym
double psi::cceom::Eom_params::residual_tol
double psi::cceom::Eom_params::residual_tol_SS
int psi::cceom::Eom_params::restart_eom_cc3
int psi::cceom::Eom_params::rhf_triplets
int psi::cceom::Eom_params::save_all
double psi::cceom::Eom_params::schmidt_add_residual_tol
int psi::cceom::Eom_params::skip_diagSS
double* psi::cceom::Eom_params::state_energies
int* psi::cceom::Eom_params::states_per_irrep
int psi::cceom::Eom_params::vectors_cc3
int psi::cceom::Eom_params::vectors_per_root
int psi::cceom::Eom_params::vectors_per_root_SS

The documentation for this struct was generated from the following file: