xharpy
- xharpy package
- Subpackages
- xharpy.f0j_sources package
- Module contents
- Subpackages
- Submodules
- xharpy.f0j_sources.gpaw_mpi_source module
- xharpy.f0j_sources.gpaw_source module
- xharpy.f0j_sources.gpaw_spherical_source module
- xharpy.f0j_sources.iam_source module
- xharpy.f0j_sources.nosphera2_orca_source module
- xharpy.f0j_sources.qe_source module
- xharpy.f0j_sources.real_spher_harm module
- xharpy.f0j_sources package
- Submodules
- xharpy.cli module
- xharpy.conversion module
- xharpy.io module
add_density_entries_from_fcf()add_from_cif()cif2atom_type_table_string()cif2data()cif2space_group_table_string()cif2tsc()cif_entry_string()ciflike_to_dict()create_angle_table()create_aniso_table_string()create_atom_site_table_string()create_diff_density_entries()create_distance_table()create_extinction_entries()create_fcf4_table()create_gc3_table_string()create_gc4_table_string()entries2atom_string()f0j2tsc()fcf2hkl_pd()generate_core_refinement_string()instructions_to_constraints()lst2constraint_dict()shelxl_hkl2pd()site_symm2mat_vec()split_error()symm_to_matrix_vector()value_with_esd()write_cif()write_fcf()write_res()xd_hkl2pd()
- xharpy.paper module
bench_colorsbox_options()calc_s12()calculate_agreement()corr_uij_cubic()corr_uij_cubic_nosc()corr_uij_hexa()corr_uij_hexa_nosc()corr_uij_mono()corr_uij_mono_nosc()corr_uij_ortho()corr_uij_ortho_nosc()corr_uij_tetra()corr_uij_tetra_nosc()corr_uij_tric()corr_uij_tric_nosc()figure_height()gen_lsq()plot_heatmap()
- xharpy.quality module
- xharpy.refine module
- xharpy.restraints module
- xharpy.weighting module
- Module contents
- Subpackages