castep-cell-io 0.6.0

I/O library for CASTEP .cell and .param file formats
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32

mod phonon_kpoints_mp_grid;
mod phonon_kpoints_mp_offset;
mod phonon_kpoints_mp_spacing;
mod phonon_kpoint_path_spacing;
mod phonon_kpoint_path;
mod phonon_gamma_directions;
mod phonon_kpoint_list;
mod phonon_fine_kpoint_list;
mod supercell_kpoint_list_castep;
mod phonon_fine_kpoint_path;
mod phonon_fine_kpoints_mp_spacing;
mod phonon_fine_kpoints_mp_grid;
mod phonon_fine_kpoints_mp_offset;
mod phonon_fine_kpoint_path_spacing;
mod phonon_supercell_matrix;
pub use phonon_kpoints_mp_grid::PhononKpointsMpGrid;
pub use phonon_kpoints_mp_offset::PhononKpointsMpOffset;
pub use phonon_kpoints_mp_spacing::PhononKpointsMpSpacing;
pub use phonon_kpoint_path_spacing::PhononKpointPathSpacing;
pub use phonon_kpoint_path::PhononKpointPath;
pub use phonon_kpoint_path::PhononKpointPathEntry;
pub use phonon_gamma_directions::PhononGammaDirections;
pub use phonon_kpoint_list::PhononKpointList;
pub use phonon_kpoint_list::PhononKpointListEntry;
pub use phonon_fine_kpoint_list::PhononFineKpointList;
pub use supercell_kpoint_list_castep::SupercellKpointListCastep;
pub use phonon_fine_kpoint_path::PhononFineKpointPath;
pub use phonon_fine_kpoints_mp_spacing::PhononFineKpointsMpSpacing;
pub use phonon_fine_kpoints_mp_grid::PhononFineKpointsMpGrid;
pub use phonon_fine_kpoints_mp_offset::PhononFineKpointsMpOffset;
pub use phonon_fine_kpoint_path_spacing::PhononFineKpointPathSpacing;
pub use phonon_supercell_matrix::PhononSupercellMatrix;