tblite
Light-weight tight-binding framework
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post_processing Directory Reference

Files

 list.f90
 Implements post processing conatiner list, collcting post processing methods.
 
 molmom.f90
 Implements the calculation of molecular moments as post processing methods.
 
 type.f90
 Implements post processing container abstract class, and the collection of computing caches.
 
 wbo.f90
 Implements the calculation of Wiberg-Mayer bond orders as post processing method.