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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.
1.10.0