[EA] Section

Last updated: October 12, 2026

  • The [EA] section is required when using EA or EA-vc, or when append_struc_ea = True is specified in the [option] section.
  • See also CrySPY > Search algorithms > EA

EA

NameValueDefaultDescription
n_popintPopulation (see also Population Size)
n_crsovintNumber of offspring created by crossover
n_permintNumber of offspring created by permutation
n_strainintNumber of offspring created by strain
n_randintNumber of structures created randomly
n_eliteintNumber of elite individuals (see also Natural Selection)
fit_reverseboolFalseIf False, minimal search (see also Evaluate Fitness)
n_fittestint0Number of individuals that remain natural selection. If set to 0, all individuals are retained.
slct_funcTNM, RLTFunction to select parents
t_sizeint3Tournament size. Used only used slct_func = TNM. (see also Tournament Selection)
a_rltfloat10.0Parameter for linear scaling. Used only with slct_func = RLT. (see also Roulette Selection)
b_rltfloat1.0Parameter for linear scaling. Used only with slct_func = RLT. (see also Roulette Selection)
crs_latequal, randomrandomHow to mix lattice vectors (see also crossover > 5. Swap the sliced halves)
nat_diff_toleint4Tolerance for difference in the number of atoms in crossover. (see also crossover > 6. Select the offspring with more atoms)
ntimesint1Number of times in permutation.
sigma_stfloat0.5Standard deviation for strain.
maxcnt_eaint50Maximum number of trials in EA.
max_parent_attemptsint50(since version 1.5.0) Maximum number of parent-selection attempts per offspring in EA. The initial parent selection is included.
maxgen_eaint0Maximum generation. If set to 0, no upper limit is applied.
emax_eafloatNoneEnergy upper limit (eV/atom) for natural selection.
emin_eafloatNoneEnergy lower limit (eV/atom) for natural selection.

EA-vc

NameValueDefaultDescription
n_addintNumber of offspring created by addition.
add_maxint5(since version 1.4.1) Maximum number of atoms to add in addition
n_elimintNumber of offspring created by elimination.
elim_maxint5(since version 1.4.1) Maximum number of atoms to eliminate in elimination
n_subsintNumber of offspring created by substitution.
subs_maxint3(since version 1.4.1) Maximum number of atoms to substitute in substitution
ref_energiesfloat [float …](since version 1.5.0) Reference energies for formation energy calculation [eV/atom]. Specify one value per atom type in the same order as atype, separated by spaces without parentheses or commas. The number of values must match the number of atom types in atype.
end_pointfloat [float …](deprecated since version 1.5.0) Kept for backward compatibility. Use ref_energies instead. Uses the same units and input format as ref_energies.
emax_eafloatNoneEnergy upper limit (eV/atom) for computing the convex hull.
emin_eafloatNoneEnergy lower limit (eV/atom) for computing the convex hull.

  • The following variables have been moved to the [visual] section since version 1.5.0.
  • cgen was deprecated in version 1.5.0.
  • The default values below apply to versions 1.4.3 and earlier. For version 1.5.0 and later, see the [visual] section.
NameValueDefaultDescription
cgenintNone(in versions 1.4.1–1.4.3) Which generation’s data to plot up to. If None, data will be plotted up to the latest generation.
show_maxfloat0.2When plotting the convex hull, the maximum value of the y-axis (for binary systems) or the maximum hull distance (for ternary systems) is set by show_max.
label_stableboolTrueWhether to show stable compositions when plotting the convex hull.
vmaxfloat0.2Maximum value of the colorbar representing hull distance.
bottom_marginfloat0.02Bottom margin of the y-axis for binary convex hull plot.
fig_formatstrsvgFigure format for convex hull plot: svg, png, or pdf.