castep-cell-io 0.3.0

I/O library for CASTEP .cell and .param file formats
Documentation
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pub mod band_structure;
pub mod basis_set;
pub mod density_mixing;
pub mod efield;
pub mod electronic;
pub mod electronic_excitations;
pub mod electronic_minimisation;
pub mod exchange_correlation;
pub mod general;
pub mod geometry_optimization;
pub mod molecular_dynamics;
pub mod nmr;
pub mod optics;
pub mod phonon;
pub mod population_analysis;
pub mod pseudopotential;
pub mod solvation;
pub mod transition_state;