tblite
Light-weight tight-binding framework
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wavefunction Directory Reference

Contains wavefunction related information.

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Files

 fermi.f90
 Provides a Fermi based electronic filling function.
 
 guess.f90
 Provides guesses for the wavefunction.
 
 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.
 

Detailed Description

Contains wavefunction related information.