tblite
Light-weight tight-binding framework
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param Directory Reference

Definition of the individual components of the parametrization data.

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Directories

 post_processing
 

Files

 charge.f90
 Provides model for the isotropic second-order electrostatic.
 
 dispersion.f90
 Provides model for the dispersion corrections.
 
 element.f90
 Provides records for the element specific parameters.
 
 halogen.f90
 Provides record for the halogen bonding model.
 
 hamiltonian.f90
 Provides parameter record for the Hamiltonian.
 
 mask.f90
 Provides a general mask for the complete parameters set.
 
 multipole.f90
 Provides a model for the anisotropic second-order electrostatic.
 
 post_processing.f90
 Provides a list-type container to store various post processing param records.
 
 repulsion.f90
 Provides a module for the repulsion interactions.
 
 serde.f90
 Provides a base class for serializable and deserializable data.
 
 thirdorder.f90
 Provides a model for the isotropic third-order electrostatic.
 

Detailed Description

Definition of the individual components of the parametrization data.