[EA] section
[EA] section is required only if you use EA (algo = EA
)
Name | Value | Default | Description |
---|---|---|---|
n_pop |
int | Population from second generation. | |
n_crsov |
int | The number of structures generated by crossover. | |
n_perm |
int | The number of structures generated by permutation. | |
n_strain |
int | The number of structures generated by strain. | |
n_rand |
int | The number of structures generated randomly. | |
n_elite |
int | The number of elite structures. | |
fit_reverse |
bool | False |
If False , minimal search. |
n_fittest |
int | None |
The number of structures which can survive. |
slct_func |
TNM , RLT |
Select function. | |
t_size |
int | 3 | Only used with slct_func = TNM . Tournament size. |
a_rlt |
float | 10.0 | Only used with slct_func = RLT . Parameter for linear scaling. |
b_rlt |
float | 1.0 | Only used with slct_func = RLT . Parameter for linear scaling. |
crs_lat |
equal , random |
equal |
How to mix lattice vectors. |
nat_diff_tole |
int | 4 | Tolerance for difference in the number of atoms in crossover. |
ntimes |
int | 1 | The number of times in permutation. |
sigma_st |
float | 0.5 | Standard deviation for strain. |
maxcnt_ea |
int | 50 | Maximum number of trials in EA. |
maxgen_ea |
int | 0 | Maximum generation. |
emax_ea |
float | None |
Upper limit of energy in selecting parents. |
emin_ea |
float | None |
Lower limit of energy in selecting parents. |