tblite
Light-weight tight-binding framework
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data Directory Reference

Contains element data used for defining interactions.

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Files

 atomicrad.f90
 Provides atomic radii for all elements.
 
 covrad.f90
 Provides covalent radii for all elements.
 
 paulingen.f90
 Provides electronegativities for all elements.
 
 spin.f90
 Provides spin constants for all elements.
 

Detailed Description

Contains element data used for defining interactions.