tblite
Light-weight tight-binding framework
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basis Directory Reference

Contains basis set related implementations.

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Files

 ortho.f90
 Provides utilities for orthonormalizing basis functions.
 
 slater.f90
 Provides coefficients for contracted Gaussian type orbitals to approximate Slater type orbitals.
 
 type.f90
 Provides data types for managing basis set information.
 

Detailed Description

Contains basis set related implementations.