Index

A

add_parser() (in module calypso.plugins.cli_cleancache) (in module calypso.plugins.cli_cleanjobs) (in module calypso.plugins.cli_compressjobs) (in module calypso.plugins.cli_convert) (in module calypso.plugins.cli_findkpath) (in module calypso.plugins.cli_plot_band_dos) (in module calypso.plugins.cli_supercell) (in module calypso.plugins.cli_wyckcomb) (in module calypso.plugins.cond_cdvae_deploy_v1.cli) (in module calypso.plugins.landscape_spn_deploy_v1.cli) (in module calypso.plugins.landscape_spn_deploy_v1.cli_tools) (in module calypso.plugins.legacy_calypso.cli) (in module calypso.plugins.legacy_calypso.cli_cak)

C

cal_ccf_d() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) cal_inter_atomic_d() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) calypso module, [1] calypso.cli module calypso.constants module calypso.local_env module calypso.plugins module calypso.plugins.cli_cleancache module calypso.plugins.cli_cleanjobs module calypso.plugins.cli_compressjobs module calypso.plugins.cli_convert module calypso.plugins.cli_findkpath module calypso.plugins.cli_plot_band_dos module calypso.plugins.cli_supercell module calypso.plugins.cli_wyckcomb module calypso.plugins.cond_cdvae_deploy_v1 module calypso.plugins.cond_cdvae_deploy_v1.cli module calypso.plugins.cond_cdvae_deploy_v1.common module calypso.plugins.cond_cdvae_deploy_v1.pl_modules module calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings module calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings.atomic_radii module calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings.continuous_embeddings module calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings.khot_embeddings module calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet module

calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers module calypso.plugins.landscape_spn_deploy_v1 module calypso.plugins.landscape_spn_deploy_v1.cal_ccf module calypso.plugins.landscape_spn_deploy_v1.cli module calypso.plugins.landscape_spn_deploy_v1.cli_tools module calypso.plugins.landscape_spn_deploy_v1.pre_spg module calypso.plugins.legacy_calypso module calypso.plugins.legacy_calypso.cli module calypso.plugins.legacy_calypso.cli_cak module calypso.plugins.synth_deploy_v1 module calypso.tools module calypso.utils.lazyloader module CalypsoFiles (class in calypso.constants) cell_range() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) cleancache() (in module calypso.plugins.cli_cleancache) cli_func() (in module calypso.plugins.cli_cleanjobs) (in module calypso.plugins.cli_compressjobs) (in module calypso.plugins.cli_convert) (in module calypso.plugins.cli_findkpath) (in module calypso.plugins.cli_plot_band_dos) (in module calypso.plugins.cli_supercell) (in module calypso.plugins.cli_wyckcomb) (in module calypso.plugins.cond_cdvae_deploy_v1.cli) (in module calypso.plugins.landscape_spn_deploy_v1.cli) (in module calypso.plugins.legacy_calypso.cli) (in module calypso.plugins.legacy_calypso.cli_cak) cli_getdata() (in module calypso.plugins.landscape_spn_deploy_v1.cli_tools) cli_main() (in module calypso.cli) cli_prespg() (in module calypso.plugins.landscape_spn_deploy_v1.cli_tools) cli_spnmep() (in module calypso.plugins.landscape_spn_deploy_v1.cli_tools) cli_strccf() (in module calypso.plugins.landscape_spn_deploy_v1.cli_tools) cli_strspg() (in module calypso.plugins.landscape_spn_deploy_v1.cli_tools) copy_files() (in module calypso.plugins.landscape_spn_deploy_v1.pre_spg) count_atoms_dict() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) create() (calypso.constants.CalypsoFiles method)

D

d2ccf() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf)

E

element_tag() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf)

example module

G

gaussian_f() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) get_cache_dir() (in module calypso.constants) get_down() (in module calypso.plugins.landscape_spn_deploy_v1.pre_spg)

get_hisd() (in module calypso.plugins.landscape_spn_deploy_v1.pre_spg) get_nspec() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) get_plugins_module_name() (in module calypso.cli) get_up() (in module calypso.plugins.landscape_spn_deploy_v1.pre_spg)

L

lazy_import() (in module calypso.utils.lazyloader)

LazyLoader (class in calypso.utils.lazyloader)

M

main() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf) (in module calypso.plugins.landscape_spn_deploy_v1.pre_spg) module calypso, [1] calypso.cli calypso.constants calypso.local_env calypso.plugins calypso.plugins.cli_cleancache calypso.plugins.cli_cleanjobs calypso.plugins.cli_compressjobs calypso.plugins.cli_convert calypso.plugins.cli_findkpath calypso.plugins.cli_plot_band_dos calypso.plugins.cli_supercell calypso.plugins.cli_wyckcomb calypso.plugins.cond_cdvae_deploy_v1 calypso.plugins.cond_cdvae_deploy_v1.cli calypso.plugins.cond_cdvae_deploy_v1.common calypso.plugins.cond_cdvae_deploy_v1.pl_modules calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings.atomic_radii calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings.continuous_embeddings calypso.plugins.cond_cdvae_deploy_v1.pl_modules.embeddings.khot_embeddings calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers calypso.plugins.landscape_spn_deploy_v1 calypso.plugins.landscape_spn_deploy_v1.cal_ccf calypso.plugins.landscape_spn_deploy_v1.cli calypso.plugins.landscape_spn_deploy_v1.cli_tools calypso.plugins.landscape_spn_deploy_v1.pre_spg calypso.plugins.legacy_calypso calypso.plugins.legacy_calypso.cli calypso.plugins.legacy_calypso.cli_cak calypso.plugins.synth_deploy_v1 calypso.tools calypso.utils.lazyloader example

myClass (class in example) myMethod() (example.myClass method)

P

pearson_cc() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf)

pre_spg() (in module calypso.plugins.landscape_spn_deploy_v1.pre_spg)

R

remove() (calypso.constants.CalypsoFiles method)

Rm_SIM_Struc() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf)

S

struc2ccf() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf)

U

unknown_cli_func() (in module calypso.cli)

W

weight_f() (in module calypso.plugins.landscape_spn_deploy_v1.cal_ccf)