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.
 
 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.