Getting Started
User Guide
API Reference
calculate_descriptors()
force_descriptor()
generate_force_descriptors()
prepare_vforce()
writeout_fp()
AverageFingerprintCalculator
AverageFingerprintCalculator.compute_averaged_fingeprints_selection()
AverageFingerprintCalculator.compute_averaged_fingerprints_random()
calculate_average_fingerprint()
calculate_eta()
calculate_fingerprint_vector()
ACSF
ACSF.create()
ACSF_Force
ACSF_Force.create()
calculate_mirror_cubic()
get_g2()
get_g3()
get_g4()
get_g5()
get_v2b()
get_v3b()
random_vforce()
set_eta()
MBSF
MBSF.create()
get_ga_nblst()
get_gr()
get_gr_nblst()
get_grga()
get_neighbour_lst()
analyze_vectors()
build_multilayer()
build_multilayers()
calculate_stack_position()
create_supercell()
get_multiples_mapping()
get_nonredundant_permutations()
print_results()
read_vasp_files()
setup_logging()
structures()
surfaces()
RDF()
available_pairs()
moving_average()
pairs()
predict_pairs()
supercell()
select_snapshots()
structure_analysis()
generate_supercell_vasp()
get_mlff()
compute_lpp()
new_centering()
perform_lpp()
tslpp()
lpp()
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