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Module dos

Module dos 

Source
Expand description

Density of States (DOS) and Projected DOS (PDOS).

Re-exports§

pub use dos::compute_dos;
pub use dos::compute_pdos;
pub use dos::DosResult;
pub use dos::compute_dos_parallel;
pub use dos::compute_pdos_parallel;
pub use multi_method::compute_dos_multimethod;
pub use multi_method::DosMethod;
pub use multi_method::MultiMethodDosResult;

Modules§

dos
Density of States (DOS) and Projected DOS (PDOS).
multi_method
Multi-method DOS: use orbital energies from EHT, PM3, xTB, or HF-3c.