tblite
Light-weight tight-binding framework
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Contains wavefunction related information.
More...Files | |
fermi.f90 | |
Provides a Fermi based electronic filling function. | |
guess.f90 | |
Provides guesses for the wavefunction. | |
mulliken.f90 | |
Provides Mulliken population analysis. | |
spin.f90 | |
Provides conversion routines to change the representation of spin-polarized densities. | |
type.f90 | |
Provides a wavefunction type for holding density-related information. | |
Contains wavefunction related information.