tblite
Light-weight tight-binding framework
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Contains the integral evaluation implementations.
More...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. | |
Contains the integral evaluation implementations.