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tblite
Light-weight tight-binding framework
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Contains wavefunction related information.
More...Directories | |
| localization | |
| Contains orbital localization method implementations. | |
Files | |
| fermi.f90 | |
| Provides a Fermi based electronic filling function. | |
| guess.f90 | |
| Provides guesses for the wavefunction. | |
| localization.f90 | |
| Provides reexports of orbital localization related types and procedures. | |
| mulliken.f90 | |
| Provides Mulliken population analysis. | |
| restart.f90 | |
| Read and write restart files. | |
| 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.