[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.
mindist_ea_? float [float …] Constraint on minimum interatomic distance [Å].
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.