calypso.plugins.landscape_spn_deploy_v1 package

Submodules

• calypso.plugins.landscape_spn_deploy_v1.GHiSD module
  • EV_plot
    • EV_plot.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()