[EA] section

2024 May 22, updated

[EA] section is required only if you use EA (algo = EA)

n_popintPopulation from second generation.
n_crsovintNumber of structures generated by crossover.
n_permintNumber of structures generated by permutation.
n_strainintNumber of structures generated by strain.
n_randintNumber of structures generated randomly.
n_eliteintNumber of elite structures.
fit_reverseboolFalseIf False, minimal search.
n_fittestintNoneNumber of structures which can survive.
slct_funcTNM, RLTSelect function.
t_sizeint3Only used with slct_func = TNM. Tournament size.
a_rltfloat10.0Only used with slct_func = RLT. Parameter for linear scaling.
b_rltfloat1.0Only used with slct_func = RLT. Parameter for linear scaling.
crs_latequal, randomrandomHow to mix lattice vectors.
nat_diff_toleint4Tolerance for difference in the number of atoms in crossover.
ntimesint1Number of times in permutation.
sigma_stfloat0.5Standard deviation for strain.
maxcnt_eaint50Maximum number of trials in EA.
maxgen_eaint0Maximum generation.
emax_eafloatNoneUpper limit of energy in selecting parents.
emin_eafloatNoneLower limit of energy in selecting parents.

if algo is EA-vc

n_addintNumber of structures generated by addition.
n_elimintNumber of structures generated by elimination.
n_subsintNumber of structures generated by substitution.
targetstrrandomTarget. only random for now.
end_pointfloat, floatEnergy of end points for convex hull.