Index

A

afs_type command line option

B

body_D_max command line option bond_beta command line option bond_dist_ann command line option

bond_dist_transform command line option build_subdata command line option

C

chemical_elements command line option chemical_elements_invisible command line option class_no_optimize_weights command line option classes_for_mcd command line option command line option afs_type body_D_max bond_beta bond_dist_ann bond_dist_transform build_subdata chemical_elements chemical_elements_invisible class_no_optimize_weights classes_for_mcd cur_eps cur_kval cur_rval db_file db_path desc_file_format desc_forces, [1] descriptor_type dim_data eta_max_g2 factor_energy_error factor_force_error factor_stress_error fix_no_of_elements force_comp i_begin inv_r0_input iread_energy iread_ml isave_ml j_max kcross kelem kernel_dump kernel_power kernel_type l_body_order l_max, [1], [2], [3] lambda_krr lbso3_diag lbso4_diag length_kernel lsoap_diag lsoap_lnorm lsoap_norm marginal_likelihood max_iter_optimize_weights ml_type mld_fit_type mld_order mld_regularization_type mld_type_quadratic mtp_poly_max mtp_poly_min n_cheb n_frac n_g2_eta n_g2_rs n_g3_eta n_g3_lambda n_g3_zeta n_kcross n_rbf, [1], [2], [3] n_soap nd_data np_kernel_full np_kernel_ref ns_data optimize_ga_population optimize_weights_chem optimize_weights_db optimize_weights_L1 optimize_weights_L2 optimize_weights_Le path polyc_n_hermite polyc_n_poly power_mcd pref r_cut r_cut_width_soap radial_pow_so3, [1] ref_energy_per_element seed selection_type sigma_kernel snap_class_constraints sparsification strict_behler svd_rcond target_type toy_model train_only type_of_loss weight_per_element weight_per_element_3ch weighted weighted_3ch weighted_auto write_desc, [1] write_design_matrix write_kernel_matrix

cur_eps command line option cur_kval command line option cur_rval command line option

D

db_file command line option db_path command line option desc_file_format command line option

desc_forces command line option, [1] descriptor_type command line option dim_data command line option

E

eta_max_g2 command line option

F

factor_energy_error command line option factor_force_error command line option factor_stress_error command line option

fix_no_of_elements command line option force_comp command line option

I

i_begin command line option inv_r0_input command line option iread_energy command line option

iread_ml command line option isave_ml command line option

J

j_max command line option

K

kcross command line option kelem command line option kernel_dump command line option

kernel_power command line option kernel_type command line option

L

l_body_order command line option l_max command line option, [1], [2], [3] lambda_krr command line option lbso3_diag command line option lbso4_diag command line option

length_kernel command line option lsoap_diag command line option lsoap_lnorm command line option lsoap_norm command line option

M

marginal_likelihood command line option max_iter_optimize_weights command line option MILADY-GNU MILADY-INTEL MILADY-MIX ml_type command line option mld_fit_type command line option

mld_order command line option mld_regularization_type command line option mld_type_quadratic command line option mtp_poly_max command line option mtp_poly_min command line option

N

n_cheb command line option n_frac command line option n_g2_eta command line option n_g2_rs command line option n_g3_eta command line option n_g3_lambda command line option n_g3_zeta command line option

n_kcross command line option n_rbf command line option, [1], [2], [3] n_soap command line option name.in nd_data command line option np_kernel_full command line option np_kernel_ref command line option ns_data command line option

O

optimize_ga_population command line option optimize_weights_chem command line option optimize_weights_db command line option

optimize_weights_L1 command line option optimize_weights_L2 command line option optimize_weights_Le command line option

P

path command line option polyc_n_hermite command line option polyc_n_poly command line option

power_mcd command line option pref command line option PREFIXSIM.ml

R

r_cut command line option r_cut_width_soap command line option

radial_pow_so3 command line option, [1] ref_energy_per_element command line option

S

seed command line option selection_type command line option sigma_kernel command line option snap_class_constraints command line option

sparsification command line option strict_behler command line option svd_rcond command line option

T

target_type command line option toy_model command line option

train_only command line option type_of_loss command line option

W

weight_per_element command line option weight_per_element_3ch command line option weighted command line option weighted_3ch command line option

weighted_auto command line option write_desc command line option, [1] write_design_matrix command line option write_kernel_matrix command line option