======= Modules ======= Pad Dump File -------------------- .. autofunction:: gbpy.pad_dump_file.p_arr .. autofunction:: gbpy.pad_dump_file.pad_dump_file .. autofunction:: gbpy.pad_dump_file.GB_finder .. autofunction:: gbpy.pad_dump_file.num_rep_2d .. autofunction:: gbpy.pad_dump_file.pad_gb_perp .. autofunction:: gbpy.pad_dump_file.create_imgs .. autofunction:: gbpy.pad_dump_file.slice_along_planes .. autofunction:: gbpy.pad_dump_file.del_inds .. autofunction:: gbpy.pad_dump_file.inds_to_keep vv props -------------------- .. autofunction:: gbpy.vv_props.Circum_O_R .. autofunction:: gbpy.vv_props.triang_inds .. autofunction:: gbpy.vv_props.vv_props .. autofunction:: gbpy.vv_props.wrap_cc Utility Function -------------------- .. autofunction:: gbpy.util_funcs.compute_ovito_data .. autofunction:: gbpy.util_funcs.identify_pbc .. autofunction:: gbpy.util_funcs.box_size_reader .. autofunction:: gbpy.util_funcs.define_bounds .. autofunction:: gbpy.util_funcs.RemProb .. autofunction:: gbpy.util_funcs.RemIns_decision .. autofunction:: gbpy.util_funcs.radi_normaliz .. autofunction:: gbpy.util_funcs.choos_rem_ins .. autofunction:: gbpy.util_funcs.atom_insertion .. autofunction:: gbpy.util_funcs.atom_removal .. autofunction:: gbpy.util_funcs.cal_area .. autofunction:: gbpy.util_funcs.cal_GB_E .. autofunction:: gbpy.util_funcs.p_boltz_func .. autofunction:: gbpy.util_funcs.decide .. autofunction:: gbpy.util_funcs.check_SC_reg .. autofunction:: gbpy.util_funcs.add_sc Lammps Dump Writer -------------------- .. autofunction:: gbpy.lammps_dump_writer.lammps_box .. autofunction:: gbpy.lammps_dump_writer.box_bound_func .. autofunction:: gbpy.lammps_dump_writer.write_lammps_dump Lammps Script Writer -------------------- .. autofunction:: gbpy.lammps_script_writer.file_gen .. autofunction:: gbpy.lammps_script_writer.run_lammps_anneal .. autofunction:: gbpy.lammps_script_writer.run_lmp