tblite
Light-weight tight-binding framework
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integral Directory Reference

Contains the integral evaluation implementations.

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Files

 diat_trafo.f90
 Evaluation of the diatomic scaled overlap.
 
 dipole.f90
 Provides evaluation of dipole moment integrals.
 
 multipole.f90
 Provides evaluation of multipole moment integrals.
 
 overlap.f90
 Provides evaluation of overlap integrals.
 
 trafo.f90
 Provides transformation from cartesian to spherical harmonic basis functions.
 
 type.f90
 Provides an integral storage container.
 

Detailed Description

Contains the integral evaluation implementations.