List of all items

Structs

• ffi::CAtom
• ffi::CConFrameIterator
• ffi::CFrame
• ffi::RKRConFrame
• ffi::RKRConFrameBuilder
• ffi::RKRConFrameWriter
• iterators::ConFrameIterator
• types::AtomDatum
• types::ConFrame
• types::ConFrameBuilder
• types::FrameHeader
• types::PreboxHeader
• writer::ConFrameWriter

Enums

• compression::Compression
• compression::FileContents
• error::ParseError
• ffi::RKRStatus

Functions

• compression::detect_compression
• compression::detect_compression_from_extension
• compression::gzip_writer
• compression::read_file_contents
• ffi::con_frame_iterator_next
• ffi::create_writer_from_path_c
• ffi::create_writer_from_path_with_precision_c
• ffi::create_writer_gzip_c
• ffi::free_c_frame
• ffi::free_con_frame_iterator
• ffi::free_rkr_frame
• ffi::free_rkr_frame_array
• ffi::free_rkr_frame_builder
• ffi::free_rkr_writer
• ffi::read_con_file_iterator
• ffi::rkr_con_spec_version
• ffi::rkr_frame_add_atom
• ffi::rkr_frame_add_atom_full
• ffi::rkr_frame_add_atom_with_fixed_mask
• ffi::rkr_frame_add_atom_with_forces
• ffi::rkr_frame_add_atom_with_forces_fixed_mask
• ffi::rkr_frame_add_atom_with_velocity
• ffi::rkr_frame_add_atom_with_velocity_and_forces
• ffi::rkr_frame_add_atom_with_velocity_and_forces_fixed_mask
• ffi::rkr_frame_add_atom_with_velocity_fixed_mask
• ffi::rkr_frame_builder_build
• ffi::rkr_frame_builder_set_energy
• ffi::rkr_frame_builder_set_frame_index
• ffi::rkr_frame_builder_set_last_force
• ffi::rkr_frame_builder_set_last_velocity
• ffi::rkr_frame_builder_set_metadata_json
• ffi::rkr_frame_builder_set_neb_band
• ffi::rkr_frame_builder_set_neb_bead
• ffi::rkr_frame_builder_set_scalar_metadata
• ffi::rkr_frame_builder_set_string_metadata
• ffi::rkr_frame_builder_set_time
• ffi::rkr_frame_builder_set_timestep
• ffi::rkr_frame_energy
• ffi::rkr_frame_frame_index
• ffi::rkr_frame_get_header_line
• ffi::rkr_frame_get_header_line_cpp
• ffi::rkr_frame_metadata_json
• ffi::rkr_frame_neb_band
• ffi::rkr_frame_neb_bead
• ffi::rkr_frame_new
• ffi::rkr_frame_potential_type
• ffi::rkr_frame_spec_version
• ffi::rkr_frame_time
• ffi::rkr_frame_timestep
• ffi::rkr_frame_to_c_frame
• ffi::rkr_free_string
• ffi::rkr_library_version
• ffi::rkr_read_all_frames
• ffi::rkr_read_first_frame
• ffi::rkr_status_message
• ffi::rkr_writer_extend
• helpers::atomic_number_to_symbol
• helpers::symbol_to_atomic_number
• iterators::read_all_frames
• iterators::read_first_frame
• parser::parse_declared_sections
• parser::parse_force_section
• parser::parse_frame_header
• parser::parse_line_of_n
• parser::parse_line_of_n_f64
• parser::parse_line_of_range_f64
• parser::parse_single_frame
• parser::parse_velocity_section
• parser::validate_metadata_schema
• types::decode_fixed_bitmask
• types::encode_fixed_bitmask

Constants

• CON_SPEC_VERSION
• VERSION
• ffi::RKR_CON_SPEC_VERSION
• types::SECTION_FORCES
• types::SECTION_VELOCITIES
• types::meta::CONVERGED
• types::meta::CONVERGENCE_ENERGY
• types::meta::CONVERGENCE_FMAX
• types::meta::CON_SPEC_VERSION
• types::meta::ENERGY
• types::meta::FMAX
• types::meta::FRAME_INDEX
• types::meta::GENERATOR
• types::meta::LATTICE_VECTORS
• types::meta::NEB_BAND
• types::meta::NEB_BEAD
• types::meta::PBC
• types::meta::POTENTIAL
• types::meta::SECTIONS
• types::meta::TIME
• types::meta::TIMESTEP
• types::meta::UNITS
• types::meta::VALIDATE