Crate castep_cell_io

Re-exports

pub use cell_document::params::CastepParams;

pub use cell_document::params::CastepParamsBuilder;

pub use cell_document::params::CastepTask;

pub use cell_document::params::EnergyCutoff;

pub use cell_document::params::EnergyCutoffError;

pub use cell_document::to_cell_document;

pub use cell_document::units::length_units::*;

Modules

cell_document

Structs

CellParser

Enums

CellParseError

DocumentSections

KPointKeywords

For backwards compatibility the keywords beginning BS_ and OPTICS_ are synonyms for SPECTRAL_KPOINT_ and similarly those beginning.

KeywordType

LatticeBlockType

PositionsKeywords

Functions

get_block_data

When the block name is identified, the remaining input is directly the lines for data and the ending line of the block Returns the lines and throw away the ending to move out of the block in input

get_field_data

get_keyword