calypso.plugins package

Subpackages

• calypso.plugins.cond_cdvae_deploy_v1 package
  • Subpackages
    • calypso.plugins.cond_cdvae_deploy_v1.common package
      • Submodules
    • calypso.plugins.cond_cdvae_deploy_v1.pl_modules package
      • Subpackages
      • Submodules
  • Submodules
    • calypso.plugins.cond_cdvae_deploy_v1.cli module
      • add_parser()
      • cli_func()
    • calypso.plugins.cond_cdvae_deploy_v1.deploy_utils module
    • calypso.plugins.cond_cdvae_deploy_v1.evaluate module
• calypso.plugins.landscape_spn_deploy_v1 package
  • Submodules
    • calypso.plugins.landscape_spn_deploy_v1.GHiSD module
      • EV_plot
      • F_function()
      • F_ljlmp()
      • F_lmp()
      • F_multi()
      • F_num()
      • F_vasp()
      • HiSD()
      • My_orth()
      • My_orth2()
      • My_orth3()
      • My_orth4()
      • V0_2_V1()
      • V1_2_V0()
      • angle()
      • cal_eps()
      • cell_to_cellpar()
      • cellpar_to_cell()
      • check_V()
      • disturb()
      • extract_lmp()
      • extract_vasp()
      • get_Mass()
      • get_V_3zero()
      • get_n_f_lmp()
      • liner()
      • loadingx()
      • maxmode()
      • orthv2V()
      • out2FA_vasp()
      • out2F_ljlmp()
      • out2F_lmp()
      • out2F_vasp()
      • pos2x_cart()
      • pos2xqS()
      • restart_loading()
      • unit_vector()
      • v2lammps()
      • v2lammps_old()
      • write_poscar()
      • write_poscar_new()
      • x2index_V()
      • xS2poscar()
    • calypso.plugins.landscape_spn_deploy_v1.cal_ccf module
      • Rm_SIM_Struc()
      • cal_ccf_d()
      • cal_inter_atomic_d()
      • cell_range()
      • count_atoms_dict()
      • d2ccf()
      • element_tag()
      • gaussian_f()
      • get_nspec()
      • main()
      • pearson_cc()
      • struc2ccf()
      • weight_f()
    • calypso.plugins.landscape_spn_deploy_v1.cal_spg module
      • analize_advanced()
      • main()
    • calypso.plugins.landscape_spn_deploy_v1.cli module
      • add_parser()
      • cli_func()
    • calypso.plugins.landscape_spn_deploy_v1.cli_tools module
      • add_parser()
      • cli_getdata()
      • cli_prespg()
      • cli_spnmep()
      • cli_strccf()
      • cli_strspg()
    • calypso.plugins.landscape_spn_deploy_v1.h2l module
      • Rm_SIM_Struc()
      • SV_HiSD()
      • cal_ccf_d()
      • cal_inter_atomic_d()
      • cell_range()
      • count_atoms_dict()
      • d2ccf()
      • element_tag()
      • gaussian_f()
      • get_V_Direc()
      • get_nspec()
      • get_parallel()
      • main()
      • pearson_cc()
      • struc2ccf()
      • weight_f()
    • calypso.plugins.landscape_spn_deploy_v1.pre_get_data module
      • drop_duplicates_new()
      • drop_incomplete()
      • extract_index()
      • extract_name()
      • extract_search_type()
      • get_edge_node()
      • get_total()
      • get_unique()
      • get_unique_by_eth()
      • main()
      • match_struc()
      • pos2x()
      • set_format()
    • calypso.plugins.landscape_spn_deploy_v1.pre_spg module
      • copy_files()
      • get_down()
      • get_hisd()
      • get_up()
      • main()
      • pre_spg()
    • calypso.plugins.landscape_spn_deploy_v1.spn_start2end module
      • get_G()
      • get_barrier_from_path()
      • main()
    • calypso.plugins.landscape_spn_deploy_v1.spn_start_ana module
      • dfs_paths_V4()
      • dfs_paths_V5()
      • get_G()
      • get_barrier_from_path_v3()
      • main()
• calypso.plugins.legacy_calypso package
  • Submodules
    • calypso.plugins.legacy_calypso.cli module
      • add_parser()
      • cli_func()
    • calypso.plugins.legacy_calypso.cli_cak module
      • add_parser()
      • cli_func()
• calypso.plugins.synth_deploy_v1 package
  • Submodules
    • calypso.plugins.synth_deploy_v1.syn_eva module

Submodules

• calypso.plugins.cli_cleancache module
  • add_parser()
  • cleancache()
• calypso.plugins.cli_cleanjobs module
  • add_parser()
  • cli_func()
• calypso.plugins.cli_compressjobs module
  • add_parser()
  • cli_func()
• calypso.plugins.cli_convert module
  • add_parser()
  • cli_func()
• calypso.plugins.cli_convexhull module
• calypso.plugins.cli_findkpath module
  • add_parser()
  • cli_func()
• calypso.plugins.cli_plot_band_dos module
  • add_parser()
  • cli_func()
• calypso.plugins.cli_spg module
• calypso.plugins.cli_supercell module
  • add_parser()
  • cli_func()
• calypso.plugins.cli_update_prototype module
• calypso.plugins.cli_wyckcomb module
  • add_parser()
  • cli_func()
• calypso.plugins.run_mlp module
  • MODEL
  • OPTALGO
  • get_calculator()
  • get_calculator_chgnet030()
  • get_calculator_dp()
  • get_calculator_eqv2()
  • get_calculator_m3gnet()
  • get_calculator_mace_mp()
  • get_calculator_mace_off()
  • get_calculator_orb()
  • get_calculator_sevenn()
  • get_optimizer_algo()
  • main()
  • run_opt()